3-[3-amino-1-(1-methylimidazol-2-yl)propyl]phenol

C13H17N3O — CID 115038366

IUPAC3-[3-amino-1-(1-methylimidazol-2-yl)propyl]phenol
SMILESCn1ccnc1C(CCN)c1cccc(O)c1
InChIInChI=1S/C13H17N3O/c1-16-8-7-15-13(16)12(5-6-14)10-3-2-4-11(17)9-10/h2-4,7-9,12,17H,5-6,14H2,1H3
InChIKeyYKCNGHAHGPSBPZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.61
Rot. Bonds4

About 3-[3-amino-1-(1-methylimidazol-2-yl)propyl]phenol

3-[3-amino-1-(1-methylimidazol-2-yl)propyl]phenol (PubChem CID 115038366) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[3-amino-1-(1-methylimidazol-2-yl)propyl]phenol.

Molecular Properties

Compound Name3-[3-amino-1-(1-methylimidazol-2-yl)propyl]phenol
PubChem CID115038366
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[3-amino-1-(1-methylimidazol-2-yl)propyl]phenol
SMILESCn1ccnc1C(CCN)c1cccc(O)c1
InChIInChI=1S/C13H17N3O/c1-16-8-7-15-13(16)12(5-6-14)10-3-2-4-11(17)9-10/h2-4,7-9,12,17H,5-6,14H2,1H3
InChIKeyYKCNGHAHGPSBPZ-UHFFFAOYSA-N
XLogP1.61
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 115053222
1-methyl-2-(1-phenylpropyl)imidazole
CID 67056293
3-(3-methoxyphenyl)-3-(1-methylimidazol-2-yl)propanoic acid
CID 82484426
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 116834930
1-methyl-2-(1-phenylbut-3-enyl)imidazole
CID 175452122
2-(1-methylimidazol-2-yl)-2-(2-methyl-5-propan-2-ylphenyl)ethanamine
CID 116834976
(1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544947
3-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propanoic acid
CID 82486458
[3-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol
CID 105098831
3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 115426635
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 95188898

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-1-(1-methylimidazol-2-yl)propyl]phenol?
The IUPAC name of 3-[3-amino-1-(1-methylimidazol-2-yl)propyl]phenol (CID 115038366) is 3-[3-amino-1-(1-methylimidazol-2-yl)propyl]phenol.
What is the SMILES notation for 3-[3-amino-1-(1-methylimidazol-2-yl)propyl]phenol?
The canonical SMILES for 3-[3-amino-1-(1-methylimidazol-2-yl)propyl]phenol is Cn1ccnc1C(CCN)c1cccc(O)c1.
What is the InChIKey of 3-[3-amino-1-(1-methylimidazol-2-yl)propyl]phenol?
The InChIKey is YKCNGHAHGPSBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-8-7-15-13(16)12(5-6-14)10-3-2-4-11(17)9-10/h2-4,7-9,12,17H,5-6,14H2,1H3.
What are the key properties of 3-[3-amino-1-(1-methylimidazol-2-yl)propyl]phenol?
3-[3-amino-1-(1-methylimidazol-2-yl)propyl]phenol has a molecular weight of 231.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-1-(1-methylimidazol-2-yl)propyl]phenol is sourced from PubChem (CID 115038366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).