1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine

C19H26N2 — CID 62254062

IUPAC1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine
SMILESCCC(C)C(N)CNc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H26N2/c1-3-15(2)18(20)14-21-19-12-8-7-11-17(19)13-16-9-5-4-6-10-16/h4-12,15,18,21H,3,13-14,20H2,1-2H3
InChIKeyAHPWRERRALHPAY-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.06
Rot. Bonds7

About 1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine

1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine (PubChem CID 62254062) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine
PubChem CID62254062
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine
SMILESCCC(C)C(N)CNc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H26N2/c1-3-15(2)18(20)14-21-19-12-8-7-11-17(19)13-16-9-5-4-6-10-16/h4-12,15,18,21H,3,13-14,20H2,1-2H3
InChIKeyAHPWRERRALHPAY-UHFFFAOYSA-N
XLogP4.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-N-(2-benzylphenyl)propane-1,2-diamine
CID 112736608
1-(2-benzylanilino)propan-2-ol
CID 60884761
2-benzyl-N-(2-methylpentyl)aniline
CID 43093994
2-amino-N-(2-benzylphenyl)-3-methylpentanamide
CID 24700723
N'-(2-benzylphenyl)-2-propylpropane-1,3-diamine
CID 65232660
2-benzyl-N-pentan-3-ylaniline
CID 29272087
2-benzyl-N-propan-2-ylaniline
CID 13262632
(2S)-2-amino-N-(2-benzylphenyl)propanamide
CID 770490
2-(2-benzylanilino)-N'-hydroxybutanimidamide
CID 77025350
2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine
CID 143127936
1-(2-benzylphenyl)-3-butan-2-ylurea
CID 75833712
2-amino-3-(2-ethylanilino)propanoic acid
CID 103235875

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine?
The IUPAC name of 1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine (CID 62254062) is 1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine is CCC(C)C(N)CNc1ccccc1Cc1ccccc1.
What is the InChIKey of 1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine?
The InChIKey is AHPWRERRALHPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-3-15(2)18(20)14-21-19-12-8-7-11-17(19)13-16-9-5-4-6-10-16/h4-12,15,18,21H,3,13-14,20H2,1-2H3.
What are the key properties of 1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine?
1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine has a molecular weight of 282.43 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine is sourced from PubChem (CID 62254062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).