N-(1-naphthalen-2-ylethyl)-1-phenylethanamine

C20H21N — CID 22011039

IUPACN-(1-naphthalen-2-ylethyl)-1-phenylethanamine
SMILESCC(NC(C)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C20H21N/c1-15(17-8-4-3-5-9-17)21-16(2)19-13-12-18-10-6-7-11-20(18)14-19/h3-16,21H,1-2H3
InChIKeyUITFXGRFVBIWDR-UHFFFAOYSA-N
MW275.40 g/mol
LogP5.25
Rot. Bonds4

About N-(1-naphthalen-2-ylethyl)-1-phenylethanamine

N-(1-naphthalen-2-ylethyl)-1-phenylethanamine (PubChem CID 22011039) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(1-naphthalen-2-ylethyl)-1-phenylethanamine.

Molecular Properties

Compound NameN-(1-naphthalen-2-ylethyl)-1-phenylethanamine
PubChem CID22011039
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC NameN-(1-naphthalen-2-ylethyl)-1-phenylethanamine
SMILESCC(NC(C)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C20H21N/c1-15(17-8-4-3-5-9-17)21-16(2)19-13-12-18-10-6-7-11-20(18)14-19/h3-16,21H,1-2H3
InChIKeyUITFXGRFVBIWDR-UHFFFAOYSA-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-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine
CID 102238252
(1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol
CID 10709738
N-(1-naphthalen-2-ylethyl)pentan-3-amine
CID 43100971
1-naphthalen-2-yl-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 57253252
1-naphthalen-2-ylethanamine
CID 3857145
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-2-amine
CID 43371937
5-methyl-N-(1-naphthalen-2-ylethyl)hexan-2-amine
CID 43094860
1-methoxy-N-(1-naphthalen-2-ylethyl)propan-2-amine
CID 43191837
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045
N-[(1R)-1-naphthalen-2-ylethyl]-2,2-diphenylacetamide
CID 7899729
2-(1-naphthalen-2-ylethylamino)butan-1-ol
CID 43207106
ethane;2-propan-2-ylnaphthalene
CID 142226111

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-2-ylethyl)-1-phenylethanamine?
The IUPAC name of N-(1-naphthalen-2-ylethyl)-1-phenylethanamine (CID 22011039) is N-(1-naphthalen-2-ylethyl)-1-phenylethanamine.
What is the SMILES notation for N-(1-naphthalen-2-ylethyl)-1-phenylethanamine?
The canonical SMILES for N-(1-naphthalen-2-ylethyl)-1-phenylethanamine is CC(NC(C)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of N-(1-naphthalen-2-ylethyl)-1-phenylethanamine?
The InChIKey is UITFXGRFVBIWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-15(17-8-4-3-5-9-17)21-16(2)19-13-12-18-10-6-7-11-20(18)14-19/h3-16,21H,1-2H3.
What are the key properties of N-(1-naphthalen-2-ylethyl)-1-phenylethanamine?
N-(1-naphthalen-2-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 N-(1-naphthalen-2-ylethyl)-1-phenylethanamine is sourced from PubChem (CID 22011039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).