4-[4-[benzyl(methyl)amino]butan-2-yl]aniline

C18H24N2 — CID 104501397

IUPAC4-[4-[benzyl(methyl)amino]butan-2-yl]aniline
SMILESCC(CCN(C)Cc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C18H24N2/c1-15(17-8-10-18(19)11-9-17)12-13-20(2)14-16-6-4-3-5-7-16/h3-11,15H,12-14,19H2,1-2H3
InChIKeyKSZQXANJXOOXAU-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.89
Rot. Bonds6

About 4-[4-[benzyl(methyl)amino]butan-2-yl]aniline

4-[4-[benzyl(methyl)amino]butan-2-yl]aniline (PubChem CID 104501397) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[4-[benzyl(methyl)amino]butan-2-yl]aniline.

Molecular Properties

Compound Name4-[4-[benzyl(methyl)amino]butan-2-yl]aniline
PubChem CID104501397
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-[4-[benzyl(methyl)amino]butan-2-yl]aniline
SMILESCC(CCN(C)Cc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C18H24N2/c1-15(17-8-10-18(19)11-9-17)12-13-20(2)14-16-6-4-3-5-7-16/h3-11,15H,12-14,19H2,1-2H3
InChIKeyKSZQXANJXOOXAU-UHFFFAOYSA-N
XLogP3.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[4-[benzyl(methyl)amino]butan-2-yl]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

(3R)-N-benzyl-N-methyl-3-phenylbutan-1-amine;hydrate
CID 66524871
4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline
CID 104501541
4-[4-[methyl(2-methylprop-2-enyl)amino]butan-2-yl]aniline
CID 113498668
(3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol
CID 129383331
(3R)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol
CID 129383329
4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline
CID 104501740
4-[4-(diethylamino)butan-2-yl]aniline
CID 104501389
4-[4-[methyl(pentan-3-yl)amino]butan-2-yl]aniline
CID 104501462
2-[(4-aminophenyl)methyl-methylamino]ethanol
CID 23507043
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43420040
4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline
CID 104501576

Frequently Asked Questions

What is the IUPAC name of 4-[4-[benzyl(methyl)amino]butan-2-yl]aniline?
The IUPAC name of 4-[4-[benzyl(methyl)amino]butan-2-yl]aniline (CID 104501397) is 4-[4-[benzyl(methyl)amino]butan-2-yl]aniline.
What is the SMILES notation for 4-[4-[benzyl(methyl)amino]butan-2-yl]aniline?
The canonical SMILES for 4-[4-[benzyl(methyl)amino]butan-2-yl]aniline is CC(CCN(C)Cc1ccccc1)c1ccc(N)cc1.
What is the InChIKey of 4-[4-[benzyl(methyl)amino]butan-2-yl]aniline?
The InChIKey is KSZQXANJXOOXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-15(17-8-10-18(19)11-9-17)12-13-20(2)14-16-6-4-3-5-7-16/h3-11,15H,12-14,19H2,1-2H3.
What are the key properties of 4-[4-[benzyl(methyl)amino]butan-2-yl]aniline?
4-[4-[benzyl(methyl)amino]butan-2-yl]aniline has a molecular weight of 268.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[benzyl(methyl)amino]butan-2-yl]aniline is sourced from PubChem (CID 104501397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).