(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride

C20H22ClN — CID 68735780

IUPAC(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride
SMILESCNC[C@@H](Cc1ccccc1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C20H21N.ClH/c1-21-15-20(13-16-7-3-2-4-8-16)19-12-11-17-9-5-6-10-18(17)14-19;/h2-12,14,20-21H,13,15H2,1H3;1H/t20-;/m1./s1
InChIKeyXSCACYLMOXNCGS-VEIFNGETSA-N
MW311.86 g/mol
LogP4.81
Rot. Bonds5

About (2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride

(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride (PubChem CID 68735780) has the molecular formula C20H22ClN and a molecular weight of 311.86 g/mol. Its IUPAC name is (2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride
PubChem CID68735780
Molecular FormulaC20H22ClN
Molecular Weight311.86 g/mol
Exact Mass311.14
IUPAC Name(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride
SMILESCNC[C@@H](Cc1ccccc1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C20H21N.ClH/c1-21-15-20(13-16-7-3-2-4-8-16)19-12-11-17-9-5-6-10-18(17)14-19;/h2-12,14,20-21H,13,15H2,1H3;1H/t20-;/m1./s1
InChIKeyXSCACYLMOXNCGS-VEIFNGETSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68735781
N,N-dimethyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 67203789
3-(2-fluorophenyl)-N-methyl-2-naphthalen-2-ylpropan-1-amine
CID 86288522
2-(4-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441486
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799
N-methyl-2-naphthalen-2-ylpropan-1-amine
CID 19847434
1-naphthalen-2-yl-2-phenylethanol
CID 2793947
(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
CID 68765069
2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene
CID 19077007
(2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68762237
(1R,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 20631903
3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine
CID 65430220

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride?
The IUPAC name of (2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride (CID 68735780) is (2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride.
What is the SMILES notation for (2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride?
The canonical SMILES for (2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride is CNC[C@@H](Cc1ccccc1)c1ccc2ccccc2c1.Cl.
What is the InChIKey of (2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride?
The InChIKey is XSCACYLMOXNCGS-VEIFNGETSA-N. The full InChI is InChI=1S/C20H21N.ClH/c1-21-15-20(13-16-7-3-2-4-8-16)19-12-11-17-9-5-6-10-18(17)14-19;/h2-12,14,20-21H,13,15H2,1H3;1H/t20-;/m1./s1.
What are the key properties of (2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride?
(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride is sourced from PubChem (CID 68735780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).