2-benzyl-N-pentan-3-ylaniline

C18H23N — CID 29272087

IUPAC2-benzyl-N-pentan-3-ylaniline
SMILESCCC(CC)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C18H23N/c1-3-17(4-2)19-18-13-9-8-12-16(18)14-15-10-6-5-7-11-15/h5-13,17,19H,3-4,14H2,1-2H3
InChIKeySKMZFEKXUOFFJA-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.88
Rot. Bonds6

About 2-benzyl-N-pentan-3-ylaniline

2-benzyl-N-pentan-3-ylaniline (PubChem CID 29272087) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-benzyl-N-pentan-3-ylaniline.

Molecular Properties

Compound Name2-benzyl-N-pentan-3-ylaniline
PubChem CID29272087
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2-benzyl-N-pentan-3-ylaniline
SMILESCCC(CC)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C18H23N/c1-3-17(4-2)19-18-13-9-8-12-16(18)14-15-10-6-5-7-11-15/h5-13,17,19H,3-4,14H2,1-2H3
InChIKeySKMZFEKXUOFFJA-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine
CID 143127936
2-benzyl-N-propan-2-ylaniline
CID 13262632
[2-(1-phenylbutan-2-ylamino)phenyl]methanol
CID 79007205
2-(2-benzylanilino)propanenitrile
CID 54941633
2-(2-benzylanilino)-N'-hydroxybutanimidamide
CID 77025350
2-(2-benzylanilino)-N-methylpropanamide
CID 43085479
2-benzyl-N-(dicyclopropylmethyl)aniline
CID 43362769
N-(2-benzylphenyl)thiohydroxylamine
CID 88608695
N-(2-benzylphenyl)hydroxylamine
CID 3014197
2-(pentan-3-ylamino)benzenethiol
CID 13416430
N-(2-benzylphenyl)-N'-(1-hydroxypentan-3-yl)oxamide
CID 111799039
1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine
CID 62254062

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-pentan-3-ylaniline?
The IUPAC name of 2-benzyl-N-pentan-3-ylaniline (CID 29272087) is 2-benzyl-N-pentan-3-ylaniline.
What is the SMILES notation for 2-benzyl-N-pentan-3-ylaniline?
The canonical SMILES for 2-benzyl-N-pentan-3-ylaniline is CCC(CC)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-pentan-3-ylaniline?
The InChIKey is SKMZFEKXUOFFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-3-17(4-2)19-18-13-9-8-12-16(18)14-15-10-6-5-7-11-15/h5-13,17,19H,3-4,14H2,1-2H3.
What are the key properties of 2-benzyl-N-pentan-3-ylaniline?
2-benzyl-N-pentan-3-ylaniline has a molecular weight of 253.39 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-pentan-3-ylaniline is sourced from PubChem (CID 29272087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).