4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol

C13H17N3O — CID 43435560

IUPAC4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
SMILESCC(Cn1ccnc1)NCc1ccc(O)cc1
InChIInChI=1S/C13H17N3O/c1-11(9-16-7-6-14-10-16)15-8-12-2-4-13(17)5-3-12/h2-7,10-11,15,17H,8-9H2,1H3
InChIKeyJGMLNZRCUWFUGT-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.77
Rot. Bonds5

About 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol

4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol (PubChem CID 43435560) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
PubChem CID43435560
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
SMILESCC(Cn1ccnc1)NCc1ccc(O)cc1
InChIInChI=1S/C13H17N3O/c1-11(9-16-7-6-14-10-16)15-8-12-2-4-13(17)5-3-12/h2-7,10-11,15,17H,8-9H2,1H3
InChIKeyJGMLNZRCUWFUGT-UHFFFAOYSA-N
XLogP1.77
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol 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
N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 79979507
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]benzene-1,3-diol
CID 43749681
[4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 56718318
4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol
CID 43749727
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-propylimidazol-4-yl)methyl]propan-2-amine
CID 66131355

Frequently Asked Questions

What is the IUPAC name of 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol?
The IUPAC name of 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol (CID 43435560) is 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol.
What is the SMILES notation for 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol?
The canonical SMILES for 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol is CC(Cn1ccnc1)NCc1ccc(O)cc1.
What is the InChIKey of 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol?
The InChIKey is JGMLNZRCUWFUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-11(9-16-7-6-14-10-16)15-8-12-2-4-13(17)5-3-12/h2-7,10-11,15,17H,8-9H2,1H3.
What are the key properties of 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol?
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol has a molecular weight of 231.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol is sourced from PubChem (CID 43435560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).