N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine

C16H21N3 — CID 79979507

IUPACN-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
SMILESCC(Cn1ccnc1)NCc1ccc(C2CC2)cc1
InChIInChI=1S/C16H21N3/c1-13(11-19-9-8-17-12-19)18-10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,12-13,16,18H,6-7,10-11H2,1H3
InChIKeyLEOSHFKTGKEWGG-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.94
Rot. Bonds6

About N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine

N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine (PubChem CID 79979507) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
PubChem CID79979507
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
SMILESCC(Cn1ccnc1)NCc1ccc(C2CC2)cc1
InChIInChI=1S/C16H21N3/c1-13(11-19-9-8-17-12-19)18-10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,12-13,16,18H,6-7,10-11H2,1H3
InChIKeyLEOSHFKTGKEWGG-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-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

Related Compounds

1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 43435620
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide
CID 43792002
[4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 56718318
N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 79978907
N-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 79979594
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine
CID 56703534
(2S)-N-[(3-bromo-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 51683999
1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine
CID 66415546
(2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 38061791
1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 61212248

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine?
The IUPAC name of N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine (CID 79979507) is N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine?
The canonical SMILES for N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine is CC(Cn1ccnc1)NCc1ccc(C2CC2)cc1.
What is the InChIKey of N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine?
The InChIKey is LEOSHFKTGKEWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13(11-19-9-8-17-12-19)18-10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,12-13,16,18H,6-7,10-11H2,1H3.
What are the key properties of N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine?
N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine is sourced from PubChem (CID 79979507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).