1-naphthalen-2-yl-4-phenylbutan-1-amine

C20H21N — CID 63416758

IUPAC1-naphthalen-2-yl-4-phenylbutan-1-amine
SMILESNC(CCCc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H21N/c21-20(12-6-9-16-7-2-1-3-8-16)19-14-13-17-10-4-5-11-18(17)15-19/h1-5,7-8,10-11,13-15,20H,6,9,12,21H2
InChIKeyOOIZSPYHUXCTPP-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.86
Rot. Bonds5

About 1-naphthalen-2-yl-4-phenylbutan-1-amine

1-naphthalen-2-yl-4-phenylbutan-1-amine (PubChem CID 63416758) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-naphthalen-2-yl-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-naphthalen-2-yl-4-phenylbutan-1-amine
PubChem CID63416758
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name1-naphthalen-2-yl-4-phenylbutan-1-amine
SMILESNC(CCCc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H21N/c21-20(12-6-9-16-7-2-1-3-8-16)19-14-13-17-10-4-5-11-18(17)15-19/h1-5,7-8,10-11,13-15,20H,6,9,12,21H2
InChIKeyOOIZSPYHUXCTPP-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 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 ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1,4-diphenylbutan-1-amine
CID 7131342
4-phenyl-1-quinolin-7-ylbutan-1-amine
CID 105172595
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
(1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride
CID 171220846
1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 62608343
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine
CID 105141723
(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
CID 171220879
1-(3-iodophenyl)-4-phenylbutan-1-amine
CID 115849348
1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
CID 62606434
3-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 112688301
3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline
CID 105139782

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-4-phenylbutan-1-amine?
The IUPAC name of 1-naphthalen-2-yl-4-phenylbutan-1-amine (CID 63416758) is 1-naphthalen-2-yl-4-phenylbutan-1-amine.
What is the SMILES notation for 1-naphthalen-2-yl-4-phenylbutan-1-amine?
The canonical SMILES for 1-naphthalen-2-yl-4-phenylbutan-1-amine is NC(CCCc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-4-phenylbutan-1-amine?
The InChIKey is OOIZSPYHUXCTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c21-20(12-6-9-16-7-2-1-3-8-16)19-14-13-17-10-4-5-11-18(17)15-19/h1-5,7-8,10-11,13-15,20H,6,9,12,21H2.
What are the key properties of 1-naphthalen-2-yl-4-phenylbutan-1-amine?
1-naphthalen-2-yl-4-phenylbutan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-4-phenylbutan-1-amine is sourced from PubChem (CID 63416758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).