(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine

C20H21N — CID 78956224

IUPAC(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
SMILESCC(N[C@@H](C)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H21N/c1-15(17-9-4-3-5-10-17)21-16(2)19-14-8-12-18-11-6-7-13-20(18)19/h3-16,21H,1-2H3/t15-,16?/m0/s1
InChIKeyNRWPJJFNHXBWDM-VYRBHSGPSA-N
MW275.40 g/mol
LogP5.25
Rot. Bonds4

About (1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine

(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine (PubChem CID 78956224) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is (1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
PubChem CID78956224
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
SMILESCC(N[C@@H](C)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H21N/c1-15(17-9-4-3-5-10-17)21-16(2)19-14-8-12-18-11-6-7-13-20(18)19/h3-16,21H,1-2H3/t15-,16?/m0/s1
InChIKeyNRWPJJFNHXBWDM-VYRBHSGPSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.40
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(1R)-1-naphthalen-1-ylethyl]-1-pyridin-4-ylethanamine
CID 28666055
1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine
CID 22011088
(1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 54381200
1-naphthalen-2-yl-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 57253252
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 101003205
(1R)-N-[(1R)-1-phenanthren-9-ylethyl]-1-phenylethanamine
CID 102238248
(1R)-1-(6-methylnaphthalen-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 54273414
(1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine
CID 102238252
3-methyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine
CID 43101275
(1R)-1-naphthalen-1-yl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 10754955
lithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide
CID 177413049
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine?
The IUPAC name of (1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine (CID 78956224) is (1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine.
What is the SMILES notation for (1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine?
The canonical SMILES for (1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine is CC(N[C@@H](C)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of (1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine?
The InChIKey is NRWPJJFNHXBWDM-VYRBHSGPSA-N. The full InChI is InChI=1S/C20H21N/c1-15(17-9-4-3-5-10-17)21-16(2)19-14-8-12-18-11-6-7-13-20(18)19/h3-16,21H,1-2H3/t15-,16?/m0/s1.
What are the key properties of (1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine?
(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine has a molecular weight of 275.40 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine is sourced from PubChem (CID 78956224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).