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

C18H20Cl3N — CID 54587681

IUPAC(1R,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCN(C)[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl
InChIInChI=1S/C18H19Cl2N.ClH/c1-21(2)18-10-8-13(14-5-3-4-6-15(14)18)12-7-9-16(19)17(20)11-12;/h3-7,9,11,13,18H,8,10H2,1-2H3;1H/t13-,18+;/m0./s1
InChIKeyNMOWLQJGQMLAKI-UFRBEDTPSA-N
MW356.72 g/mol
LogP5.94
Rot. Bonds2

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

(1R,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (PubChem CID 54587681) has the molecular formula C18H20Cl3N and a molecular weight of 356.72 g/mol. Its IUPAC name is (1R,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
PubChem CID54587681
Molecular FormulaC18H20Cl3N
Molecular Weight356.72 g/mol
Exact Mass355.07
IUPAC Name(1R,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCN(C)[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl
InChIInChI=1S/C18H19Cl2N.ClH/c1-21(2)18-10-8-13(14-5-3-4-6-15(14)18)12-7-9-16(19)17(20)11-12;/h3-7,9,11,13,18H,8,10H2,1-2H3;1H/t13-,18+;/m0./s1
InChIKeyNMOWLQJGQMLAKI-UFRBEDTPSA-N
XLogP5.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.72
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Related Compounds

Sertraline
CID 68617
Sertraline Hydrochloride
CID 63009
Desmethylsertraline
CID 114743
Dasotraline
CID 9947999
n-Methyl sertraline
CID 18642483
3-Dechloro Sertraline Hydrochloride
CID 13408710
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-dimethyl-amine
CID 9796539
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-ethyl-amine;chloride
CID 9884474
Sertraline, cis-(-)-
CID 54375
Sertraline, trans-(A+-)-
CID 9882979
Sertraline Hydrochloride, trans-(A+-)-
CID 18600608
4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine
CID 5203

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The IUPAC name of (1R,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (CID 54587681) is (1R,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.
What is the SMILES notation for (1R,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The canonical SMILES for (1R,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is CN(C)[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl.
What is the InChIKey of (1R,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The InChIKey is NMOWLQJGQMLAKI-UFRBEDTPSA-N. The full InChI is InChI=1S/C18H19Cl2N.ClH/c1-21(2)18-10-8-13(14-5-3-4-6-15(14)18)12-7-9-16(19)17(20)11-12;/h3-7,9,11,13,18H,8,10H2,1-2H3;1H/t13-,18+;/m0./s1.
What are the key properties of (1R,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
(1R,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride has a molecular weight of 356.72 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is sourced from PubChem (CID 54587681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).