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

C20H21N — CID 68735781

IUPAC(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
SMILESCNC[C@@H](Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H21N/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/t20-/m1/s1
InChIKeyOXFLDCMTABTCAE-HXUWFJFHSA-N
MW275.40 g/mol
LogP4.39
Rot. Bonds5

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

(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine (PubChem CID 68735781) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is (2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
PubChem CID68735781
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
SMILESCNC[C@@H](Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H21N/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/t20-/m1/s1
InChIKeyOXFLDCMTABTCAE-HXUWFJFHSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.39
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;hydrochloride
CID 68735780
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
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
(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
CID 68765069
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?
The IUPAC name of (2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine (CID 68735781) is (2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine.
What is the SMILES notation for (2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine?
The canonical SMILES for (2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine is CNC[C@@H](Cc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine?
The InChIKey is OXFLDCMTABTCAE-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21N/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/t20-/m1/s1.
What are the key properties of (2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine?
(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 4.39, 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 is sourced from PubChem (CID 68735781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).