[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol

C15H21N3O — CID 107230142

IUPAC[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
SMILESCCCn1cncc1CNCc1ccc(CO)cc1
InChIInChI=1S/C15H21N3O/c1-2-7-18-12-17-10-15(18)9-16-8-13-3-5-14(11-19)6-4-13/h3-6,10,12,16,19H,2,7-9,11H2,1H3
InChIKeyFZJGKLFPVXBGDL-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.08
Rot. Bonds7

About [4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol

[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol (PubChem CID 107230142) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
PubChem CID107230142
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
SMILESCCCn1cncc1CNCc1ccc(CO)cc1
InChIInChI=1S/C15H21N3O/c1-2-7-18-12-17-10-15(18)9-16-8-13-3-5-14(11-19)6-4-13/h3-6,10,12,16,19H,2,7-9,11H2,1H3
InChIKeyFZJGKLFPVXBGDL-UHFFFAOYSA-N
XLogP2.08
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline
CID 66134574
N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 66129988
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine
CID 66116948
1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106009505
N-[(3-propylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 66133126
N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 66134874
3-[(3-propylimidazol-4-yl)methylamino]propanoic acid
CID 66133554
[1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol
CID 102912438
N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
CID 66132937
3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol
CID 106284688

Frequently Asked Questions

What is the IUPAC name of [4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol (CID 107230142) is [4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol is CCCn1cncc1CNCc1ccc(CO)cc1.
What is the InChIKey of [4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol?
The InChIKey is FZJGKLFPVXBGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-7-18-12-17-10-15(18)9-16-8-13-3-5-14(11-19)6-4-13/h3-6,10,12,16,19H,2,7-9,11H2,1H3.
What are the key properties of [4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol?
[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol has a molecular weight of 259.35 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 107230142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).