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

C18H21Cl2N — CID 118729249

IUPAC(2S,4R)-4-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
InChIKeyMFSGBRQDBKLDTH-PHJLCXHGSA-N
MW322.28 g/mol
LogP4.77
Rot. Bonds2

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

(2S,4R)-4-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 118729249) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is (2S,4R)-4-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-4-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID118729249
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name(2S,4R)-4-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
InChIKeyMFSGBRQDBKLDTH-PHJLCXHGSA-N
XLogP4.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Related Compounds

n-Methyl sertraline
CID 18642483
(2S,4R)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10106214
3-Dechloro Sertraline Hydrochloride
CID 13408710
1-Phenyl-3-dimethylamino-1,2,3,4-tetrahydronaphthalene
CID 10015055
(2S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10037815
N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 132954
A 31472
CID 3038603
(2S)-5-(2-chlorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 156011291
(2S)-5-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 156021386
(+)-cis-H2-PAT
CID 15657195
[4-(4-Chloro-phenyl)-1,2,3,4-tetrahydro-naphthalen-1-yl]-methyl-amine
CID 13408705
(1S,4S)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408707

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of (2S,4R)-4-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 118729249) is (2S,4R)-4-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for (2S,4R)-4-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for (2S,4R)-4-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is CN(C)[C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)C1.Cl.
What is the InChIKey of (2S,4R)-4-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is MFSGBRQDBKLDTH-PHJLCXHGSA-N. The full InChI is InChI=1S/C18H20ClN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1.
What are the key properties of (2S,4R)-4-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
(2S,4R)-4-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 322.28 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 118729249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).