2-benzyl-N-(2-methylpentyl)aniline

C19H25N — CID 43093994

IUPAC2-benzyl-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H25N/c1-3-9-16(2)15-20-19-13-8-7-12-18(19)14-17-10-5-4-6-11-17/h4-8,10-13,16,20H,3,9,14-15H2,1-2H3
InChIKeyJEOHTZLZCMKVFP-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.13
Rot. Bonds7

About 2-benzyl-N-(2-methylpentyl)aniline

2-benzyl-N-(2-methylpentyl)aniline (PubChem CID 43093994) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-benzyl-N-(2-methylpentyl)aniline.

Molecular Properties

Compound Name2-benzyl-N-(2-methylpentyl)aniline
PubChem CID43093994
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2-benzyl-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H25N/c1-3-9-16(2)15-20-19-13-8-7-12-18(19)14-17-10-5-4-6-11-17/h4-8,10-13,16,20H,3,9,14-15H2,1-2H3
InChIKeyJEOHTZLZCMKVFP-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(2-benzylphenyl)-2-propylpropane-1,3-diamine
CID 65232660
1-(2-benzylanilino)propan-2-ol
CID 60884761
(2S)-1-N-(2-benzylphenyl)propane-1,2-diamine
CID 112736608
1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine
CID 62254062
2-benzyl-N-propan-2-ylaniline
CID 13262632
2-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline
CID 43095111
2-benzyl-N-pentan-3-ylaniline
CID 29272087
2-methyl-3-(2-propylanilino)propan-1-ol
CID 115872000
2-benzyl-N-[2-(4-methylphenyl)ethyl]aniline
CID 22457026
2-methyl-N-[(2S)-2-methylpentyl]pyridin-3-amine
CID 97044827
2-methyl-3-(2-methylpentylamino)benzoic acid
CID 43737198
(2S)-N,2-dimethyl-4-phenylbutan-1-amine
CID 134172295

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2-methylpentyl)aniline?
The IUPAC name of 2-benzyl-N-(2-methylpentyl)aniline (CID 43093994) is 2-benzyl-N-(2-methylpentyl)aniline.
What is the SMILES notation for 2-benzyl-N-(2-methylpentyl)aniline?
The canonical SMILES for 2-benzyl-N-(2-methylpentyl)aniline is CCCC(C)CNc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-(2-methylpentyl)aniline?
The InChIKey is JEOHTZLZCMKVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-3-9-16(2)15-20-19-13-8-7-12-18(19)14-17-10-5-4-6-11-17/h4-8,10-13,16,20H,3,9,14-15H2,1-2H3.
What are the key properties of 2-benzyl-N-(2-methylpentyl)aniline?
2-benzyl-N-(2-methylpentyl)aniline has a molecular weight of 267.42 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(2-methylpentyl)aniline is sourced from PubChem (CID 43093994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).