N-(4-naphthalen-1-ylbutan-2-yl)aniline

C20H21N — CID 162403213

IUPACN-(4-naphthalen-1-ylbutan-2-yl)aniline
SMILESCC(CCc1cccc2ccccc12)Nc1ccccc1
InChIInChI=1S/C20H21N/c1-16(21-19-11-3-2-4-12-19)14-15-18-10-7-9-17-8-5-6-13-20(17)18/h2-13,16,21H,14-15H2,1H3
InChIKeyWFCJCHXEJZPBKW-UHFFFAOYSA-N
MW275.40 g/mol
LogP5.27
Rot. Bonds5

About N-(4-naphthalen-1-ylbutan-2-yl)aniline

N-(4-naphthalen-1-ylbutan-2-yl)aniline (PubChem CID 162403213) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylbutan-2-yl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylbutan-2-yl)aniline
PubChem CID162403213
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC NameN-(4-naphthalen-1-ylbutan-2-yl)aniline
SMILESCC(CCc1cccc2ccccc12)Nc1ccccc1
InChIInChI=1S/C20H21N/c1-16(21-19-11-3-2-4-12-19)14-15-18-10-7-9-17-8-5-6-13-20(17)18/h2-13,16,21H,14-15H2,1H3
InChIKeyWFCJCHXEJZPBKW-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.40
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
4-methyl-1-naphthalen-1-ylpentan-3-amine
CID 43370560
1-(3,3-dichloropropyl)naphthalene
CID 54458566
1-(3-chloropentyl)naphthalene
CID 63460195
N-(5-phenylpentan-2-yl)aniline
CID 134967933
N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline
CID 43107704
(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol
CID 57321321
3-fluoro-N-(4-phenylbutan-2-yl)aniline
CID 43095548
N-(2-methoxyethyl)-3-methyl-5-naphthalen-1-ylpentan-1-amine
CID 65304143
3-naphthalen-1-yl-1-phenylpropan-1-amine
CID 43370421
1-naphthalen-1-ylpentan-3-ol
CID 2793924
1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine
CID 115204071

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylbutan-2-yl)aniline?
The IUPAC name of N-(4-naphthalen-1-ylbutan-2-yl)aniline (CID 162403213) is N-(4-naphthalen-1-ylbutan-2-yl)aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylbutan-2-yl)aniline?
The canonical SMILES for N-(4-naphthalen-1-ylbutan-2-yl)aniline is CC(CCc1cccc2ccccc12)Nc1ccccc1.
What is the InChIKey of N-(4-naphthalen-1-ylbutan-2-yl)aniline?
The InChIKey is WFCJCHXEJZPBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-16(21-19-11-3-2-4-12-19)14-15-18-10-7-9-17-8-5-6-13-20(17)18/h2-13,16,21H,14-15H2,1H3.
What are the key properties of N-(4-naphthalen-1-ylbutan-2-yl)aniline?
N-(4-naphthalen-1-ylbutan-2-yl)aniline has a molecular weight of 275.40 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylbutan-2-yl)aniline is sourced from PubChem (CID 162403213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).