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

C20H20ClN — CID 68762237

IUPAC(2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
SMILESCNC[C@H](c1ccc2ccccc2c1)C(Cl)c1ccccc1
InChIInChI=1S/C20H20ClN/c1-22-14-19(20(21)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-20,22H,14H2,1H3/t19-,20?/m1/s1
InChIKeyLZILTVHXOJJKON-FIWHBWSRSA-N
MW309.84 g/mol
LogP5.12
Rot. Bonds5

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

(2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine (PubChem CID 68762237) has the molecular formula C20H20ClN and a molecular weight of 309.84 g/mol. Its IUPAC name is (2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
PubChem CID68762237
Molecular FormulaC20H20ClN
Molecular Weight309.84 g/mol
Exact Mass309.13
IUPAC Name(2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
SMILESCNC[C@H](c1ccc2ccccc2c1)C(Cl)c1ccccc1
InChIInChI=1S/C20H20ClN/c1-22-14-19(20(21)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-20,22H,14H2,1H3/t19-,20?/m1/s1
InChIKeyLZILTVHXOJJKON-FIWHBWSRSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.84
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1R,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 20631903
(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
CID 68765069
2-[(1R,2R)-1-chloro-1-phenylpentan-2-yl]naphthalene
CID 153192882
(3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68760026
(2S,3R)-N-methyl-3-[4-[(1R,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropoxy]butoxy]-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68761263
(2S,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol
CID 20631914
N-methyl-2-naphthalen-2-ylpropan-1-amine
CID 19847434
(1R)-1-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
CID 67204623
(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68735781
3-(methylamino)-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol
CID 118675562
1-(methylamino)-2-naphthalen-2-ylheptan-3-ol
CID 70875702
(1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
CID 86288293

Frequently Asked Questions

What is the IUPAC name of (2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine?
The IUPAC name of (2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine (CID 68762237) is (2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine.
What is the SMILES notation for (2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine?
The canonical SMILES for (2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine is CNC[C@H](c1ccc2ccccc2c1)C(Cl)c1ccccc1.
What is the InChIKey of (2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine?
The InChIKey is LZILTVHXOJJKON-FIWHBWSRSA-N. The full InChI is InChI=1S/C20H20ClN/c1-22-14-19(20(21)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-20,22H,14H2,1H3/t19-,20?/m1/s1.
What are the key properties of (2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine?
(2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine has a molecular weight of 309.84 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine is sourced from PubChem (CID 68762237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).