1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine

C16H23N3 — CID 66130984

IUPAC1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
SMILESCCCn1cncc1CNC(C)Cc1ccccc1
InChIInChI=1S/C16H23N3/c1-3-9-19-13-17-11-16(19)12-18-14(2)10-15-7-5-4-6-8-15/h4-8,11,13-14,18H,3,9-10,12H2,1-2H3
InChIKeyCYPFUMYDVCBFQI-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.01
Rot. Bonds7

About 1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine

1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine (PubChem CID 66130984) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
PubChem CID66130984
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
SMILESCCCn1cncc1CNC(C)Cc1ccccc1
InChIInChI=1S/C16H23N3/c1-3-9-19-13-17-11-16(19)12-18-14(2)10-15-7-5-4-6-8-15/h4-8,11,13-14,18H,3,9-10,12H2,1-2H3
InChIKeyCYPFUMYDVCBFQI-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-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-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130587
5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine
CID 66133962
2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol
CID 66130986
1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130194
(1R)-1-(2-chlorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81377729
(1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405734
N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 66133954
1-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66131355
2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133336
1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66130561
1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66135228
(1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81359377

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine (CID 66130984) is 1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine is CCCn1cncc1CNC(C)Cc1ccccc1.
What is the InChIKey of 1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine?
The InChIKey is CYPFUMYDVCBFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-9-19-13-17-11-16(19)12-18-14(2)10-15-7-5-4-6-8-15/h4-8,11,13-14,18H,3,9-10,12H2,1-2H3.
What are the key properties of 1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine?
1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 66130984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).