N-benzyl-2-phenylbutan-1-amine

C17H21N — CID 60658494

IUPACN-benzyl-2-phenylbutan-1-amine
SMILESCCC(CNCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N/c1-2-16(17-11-7-4-8-12-17)14-18-13-15-9-5-3-6-10-15/h3-12,16,18H,2,13-14H2,1H3
InChIKeyVVUAFILIZSLVGD-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.97
Rot. Bonds6

About N-benzyl-2-phenylbutan-1-amine

N-benzyl-2-phenylbutan-1-amine (PubChem CID 60658494) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-benzyl-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-benzyl-2-phenylbutan-1-amine
PubChem CID60658494
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-benzyl-2-phenylbutan-1-amine
SMILESCCC(CNCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N/c1-2-16(17-11-7-4-8-12-17)14-18-13-15-9-5-3-6-10-15/h3-12,16,18H,2,13-14H2,1H3
InChIKeyVVUAFILIZSLVGD-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzyl-2-phenylbutan-1-amine 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-[(2S)-2-phenylbutyl]formamide
CID 124705740
N-benzyl-2-methoxy-2-phenylethanamine
CID 55038164
N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine
CID 43079999
azane;pentan-3-ylbenzene
CID 19774895
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
N-ethyl-2,4-diphenylbutan-1-amine
CID 81024071
(2S)-1-(benzylamino)propan-2-ol
CID 964914
N-benzyl-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54807226
1-(benzylamino)-3-methylidenepentan-2-ol
CID 131995330
(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
CID 65429139

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenylbutan-1-amine?
The IUPAC name of N-benzyl-2-phenylbutan-1-amine (CID 60658494) is N-benzyl-2-phenylbutan-1-amine.
What is the SMILES notation for N-benzyl-2-phenylbutan-1-amine?
The canonical SMILES for N-benzyl-2-phenylbutan-1-amine is CCC(CNCc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-phenylbutan-1-amine?
The InChIKey is VVUAFILIZSLVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-2-16(17-11-7-4-8-12-17)14-18-13-15-9-5-3-6-10-15/h3-12,16,18H,2,13-14H2,1H3.
What are the key properties of N-benzyl-2-phenylbutan-1-amine?
N-benzyl-2-phenylbutan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenylbutan-1-amine is sourced from PubChem (CID 60658494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).