2-[1-(benzylamino)propyl]aniline

C16H20N2 — CID 12628946

IUPAC2-[1-(benzylamino)propyl]aniline
SMILESCCC(NCc1ccccc1)c1ccccc1N
InChIInChI=1S/C16H20N2/c1-2-16(14-10-6-7-11-15(14)17)18-12-13-8-4-3-5-9-13/h3-11,16,18H,2,12,17H2,1H3
InChIKeyLUEFBXRNXXBTPY-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.51
Rot. Bonds5

About 2-[1-(benzylamino)propyl]aniline

2-[1-(benzylamino)propyl]aniline (PubChem CID 12628946) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[1-(benzylamino)propyl]aniline.

Molecular Properties

Compound Name2-[1-(benzylamino)propyl]aniline
PubChem CID12628946
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-[1-(benzylamino)propyl]aniline
SMILESCCC(NCc1ccccc1)c1ccccc1N
InChIInChI=1S/C16H20N2/c1-2-16(14-10-6-7-11-15(14)17)18-12-13-8-4-3-5-9-13/h3-11,16,18H,2,12,17H2,1H3
InChIKeyLUEFBXRNXXBTPY-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[1-(benzylamino)propyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
2-[(1-phenylpropylamino)methyl]aniline
CID 66418456
N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43435149
N'-hydroxy-4-[(1-phenylpropylamino)methyl]benzenecarboximidamide
CID 77030088
N-[4-[[[(1S)-1-(2-hydroxyphenyl)propyl]amino]methyl]phenyl]acetamide
CID 99822871
2-[[(4-fluorophenyl)methylamino]-phenylmethyl]aniline
CID 139982463
(2S,3S)-N-benzyl-3-methylpentan-2-amine
CID 28611874
(2R,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611865
(2S,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611871
N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 60709706
N-[(4-cyclopropylphenyl)methyl]-1-phenylpropan-1-amine
CID 79979602
N-benzyl-2,2-dimethylpentan-3-amine
CID 11206526

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzylamino)propyl]aniline?
The IUPAC name of 2-[1-(benzylamino)propyl]aniline (CID 12628946) is 2-[1-(benzylamino)propyl]aniline.
What is the SMILES notation for 2-[1-(benzylamino)propyl]aniline?
The canonical SMILES for 2-[1-(benzylamino)propyl]aniline is CCC(NCc1ccccc1)c1ccccc1N.
What is the InChIKey of 2-[1-(benzylamino)propyl]aniline?
The InChIKey is LUEFBXRNXXBTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-16(14-10-6-7-11-15(14)17)18-12-13-8-4-3-5-9-13/h3-11,16,18H,2,12,17H2,1H3.
What are the key properties of 2-[1-(benzylamino)propyl]aniline?
2-[1-(benzylamino)propyl]aniline has a molecular weight of 240.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzylamino)propyl]aniline is sourced from PubChem (CID 12628946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).