N-[(2-imidazol-1-ylphenyl)methyl]-4-methoxybutan-2-amine

C15H21N3O — CID 75427699

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C15H21N3O/c1-13(7-10-19-2)17-11-14-5-3-4-6-15(14)18-9-8-16-12-18/h3-6,8-9,12-13,17H,7,10-11H2,1-2H3
InChIKeyYRHMMUYUGQSCPN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.39
Rot. Bonds7

About N-[(2-imidazol-1-ylphenyl)methyl]-4-methoxybutan-2-amine

N-[(2-imidazol-1-ylphenyl)methyl]-4-methoxybutan-2-amine (PubChem CID 75427699) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-4-methoxybutan-2-amine
PubChem CID75427699
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C15H21N3O/c1-13(7-10-19-2)17-11-14-5-3-4-6-15(14)18-9-8-16-12-18/h3-6,8-9,12-13,17H,7,10-11H2,1-2H3
InChIKeyYRHMMUYUGQSCPN-UHFFFAOYSA-N
XLogP2.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-imidazol-1-ylphenyl)methyl]-4-methoxybutan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-4-methoxybutan-2-amine?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-4-methoxybutan-2-amine (CID 75427699) is N-[(2-imidazol-1-ylphenyl)methyl]-4-methoxybutan-2-amine.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-4-methoxybutan-2-amine?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-4-methoxybutan-2-amine is COCCC(C)NCc1ccccc1-n1ccnc1.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-4-methoxybutan-2-amine?
The InChIKey is YRHMMUYUGQSCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-13(7-10-19-2)17-11-14-5-3-4-6-15(14)18-9-8-16-12-18/h3-6,8-9,12-13,17H,7,10-11H2,1-2H3.
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-4-methoxybutan-2-amine?
N-[(2-imidazol-1-ylphenyl)methyl]-4-methoxybutan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-4-methoxybutan-2-amine is sourced from PubChem (CID 75427699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).