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

C20H21N — CID 81011301

IUPAC4-naphthalen-1-yl-2-phenylbutan-1-amine
SMILESNCC(CCc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H21N/c21-15-19(16-7-2-1-3-8-16)14-13-18-11-6-10-17-9-4-5-12-20(17)18/h1-12,19H,13-15,21H2
InChIKeyXNNRBZHCKOFLHX-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.51
Rot. Bonds5

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

4-naphthalen-1-yl-2-phenylbutan-1-amine (PubChem CID 81011301) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-naphthalen-1-yl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-2-phenylbutan-1-amine
PubChem CID81011301
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name4-naphthalen-1-yl-2-phenylbutan-1-amine
SMILESNCC(CCc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H21N/c21-15-19(16-7-2-1-3-8-16)14-13-18-11-6-10-17-9-4-5-12-20(17)18/h1-12,19H,13-15,21H2
InChIKeyXNNRBZHCKOFLHX-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-naphthalen-1-yl-1-phenylpropan-1-amine
CID 43370421
(2R)-2,4-diphenylbutan-1-amine
CID 10998696
4-(2-methoxyphenyl)-2-phenylbutan-1-amine
CID 81010261
2-phenylbutane-1,4-diamine
CID 16770348
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
4-(2,6-difluorophenyl)-2-phenylbutan-1-amine
CID 114935148
1-(3,3-dichloropropyl)naphthalene
CID 54458566
4-methyl-1-naphthalen-1-ylpentan-3-amine
CID 43370560
2-phenylpentane-1,5-diamine
CID 22770284
2-phenylpentan-1-amine
CID 14321247
1-(3-chloropentyl)naphthalene
CID 63460195
4-(3-chloro-4-fluorophenyl)-2-phenylbutan-1-amine
CID 103042297

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-2-phenylbutan-1-amine?
The IUPAC name of 4-naphthalen-1-yl-2-phenylbutan-1-amine (CID 81011301) is 4-naphthalen-1-yl-2-phenylbutan-1-amine.
What is the SMILES notation for 4-naphthalen-1-yl-2-phenylbutan-1-amine?
The canonical SMILES for 4-naphthalen-1-yl-2-phenylbutan-1-amine is NCC(CCc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 4-naphthalen-1-yl-2-phenylbutan-1-amine?
The InChIKey is XNNRBZHCKOFLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c21-15-19(16-7-2-1-3-8-16)14-13-18-11-6-10-17-9-4-5-12-20(17)18/h1-12,19H,13-15,21H2.
What are the key properties of 4-naphthalen-1-yl-2-phenylbutan-1-amine?
4-naphthalen-1-yl-2-phenylbutan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-2-phenylbutan-1-amine is sourced from PubChem (CID 81011301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).