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

C17H19Cl2N — CID 54586860

IUPAC(1R,4S)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc21.Cl
InChIInChI=1S/C17H18ClN.ClH/c1-19-17-11-10-14(12-6-8-13(18)9-7-12)15-4-2-3-5-16(15)17;/h2-9,14,17,19H,10-11H2,1H3;1H/t14-,17+;/m0./s1
InChIKeyQTILPEMKUQBCMU-SQQLFYIASA-N
MW308.25 g/mol
LogP4.95
Rot. Bonds2

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

(1R,4S)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (PubChem CID 54586860) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is (1R,4S)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R,4S)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
PubChem CID54586860
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name(1R,4S)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc21.Cl
InChIInChI=1S/C17H18ClN.ClH/c1-19-17-11-10-14(12-6-8-13(18)9-7-12)15-4-2-3-5-16(15)17;/h2-9,14,17,19H,10-11H2,1H3;1H/t14-,17+;/m0./s1
InChIKeyQTILPEMKUQBCMU-SQQLFYIASA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The IUPAC name of (1R,4S)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (CID 54586860) is (1R,4S)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.
What is the SMILES notation for (1R,4S)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The canonical SMILES for (1R,4S)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is CN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc21.Cl.
What is the InChIKey of (1R,4S)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The InChIKey is QTILPEMKUQBCMU-SQQLFYIASA-N. The full InChI is InChI=1S/C17H18ClN.ClH/c1-19-17-11-10-14(12-6-8-13(18)9-7-12)15-4-2-3-5-16(15)17;/h2-9,14,17,19H,10-11H2,1H3;1H/t14-,17+;/m0./s1.
What are the key properties of (1R,4S)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
(1R,4S)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride has a molecular weight of 308.25 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is sourced from PubChem (CID 54586860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).