[3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol

C13H17N3O — CID 62357927

IUPAC[3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol
SMILESCCn1ccnc1CNc1cccc(CO)c1
InChIInChI=1S/C13H17N3O/c1-2-16-7-6-14-13(16)9-15-12-5-3-4-11(8-12)10-17/h3-8,15,17H,2,9-10H2,1H3
InChIKeyVPMYOAXQEANZQR-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.01
Rot. Bonds5

About [3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol

[3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol (PubChem CID 62357927) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol
PubChem CID62357927
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol
SMILESCCn1ccnc1CNc1cccc(CO)c1
InChIInChI=1S/C13H17N3O/c1-2-16-7-6-14-13(16)9-15-12-5-3-4-11(8-12)10-17/h3-8,15,17H,2,9-10H2,1H3
InChIKeyVPMYOAXQEANZQR-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 62356031
3-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 97060320
N-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropoxy)aniline
CID 62352079
N-[(1-ethylimidazol-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 62356208
3-chloro-N-[(1-ethylimidazol-2-yl)methyl]-4-methylaniline
CID 62357562
3-bromo-N-[(1-ethylimidazol-2-yl)methyl]-4-fluoroaniline
CID 115693757
N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine
CID 62357739
N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzodioxol-5-amine
CID 62356540
1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738227
N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine
CID 103756695
5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide
CID 62357763
N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 62352245

Frequently Asked Questions

What is the IUPAC name of [3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol?
The IUPAC name of [3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol (CID 62357927) is [3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol.
What is the SMILES notation for [3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol?
The canonical SMILES for [3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol is CCn1ccnc1CNc1cccc(CO)c1.
What is the InChIKey of [3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol?
The InChIKey is VPMYOAXQEANZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-16-7-6-14-13(16)9-15-12-5-3-4-11(8-12)10-17/h3-8,15,17H,2,9-10H2,1H3.
What are the key properties of [3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol?
[3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol has a molecular weight of 231.30 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol is sourced from PubChem (CID 62357927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).