(1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C34H36Cl2N2 — CID 76969208

IUPAC(1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN[C@@H]1CC[C@H](c2cccc(Cl)c2)c2ccccc21.CN[C@H]1CC[C@@H](c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/2C17H18ClN/c2*1-19-17-10-9-14(12-5-4-6-13(18)11-12)15-7-2-3-8-16(15)17/h2*2-8,11,14,17,19H,9-10H2,1H3/t2*14-,17-/m10/s1
InChIKeyBMJURGRUDUQNMQ-QMGGJZHNSA-N
MW543.58 g/mol
LogP9.05
Rot. Bonds4

About (1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

(1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 76969208) has the molecular formula C34H36Cl2N2 and a molecular weight of 543.58 g/mol. Its IUPAC name is (1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID76969208
Molecular FormulaC34H36Cl2N2
Molecular Weight543.58 g/mol
Exact Mass542.23
IUPAC Name(1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN[C@@H]1CC[C@H](c2cccc(Cl)c2)c2ccccc21.CN[C@H]1CC[C@@H](c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/2C17H18ClN/c2*1-19-17-10-9-14(12-5-4-6-13(18)11-12)15-7-2-3-8-16(15)17/h2*2-8,11,14,17,19H,9-10H2,1H3/t2*14-,17-/m10/s1
InChIKeyBMJURGRUDUQNMQ-QMGGJZHNSA-N
XLogP9.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.58
LogP ≤ 59.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

(1S,4R)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408706
(4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 54133361
(1R,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride
CID 175666140
(1S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408686
(1R,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 13408732
(1S,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 54581800
4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 13408687
(1R,4S)-4-(4-chloro-3-methylphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;ethane
CID 143552734
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;methanol;hydrochloride
CID 69478008
(1R,4S)-4-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 54580784
(1R,4S)-4-(4-bromophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 18600609
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;4-methylbenzenesulfonic acid
CID 10073777

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 76969208) is (1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CN[C@@H]1CC[C@H](c2cccc(Cl)c2)c2ccccc21.CN[C@H]1CC[C@@H](c2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of (1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is BMJURGRUDUQNMQ-QMGGJZHNSA-N. The full InChI is InChI=1S/2C17H18ClN/c2*1-19-17-10-9-14(12-5-4-6-13(18)11-12)15-7-2-3-8-16(15)17/h2*2-8,11,14,17,19H,9-10H2,1H3/t2*14-,17-/m10/s1.
What are the key properties of (1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 543.58 g/mol, XLogP of 9.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 76969208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).