4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propyl]phenol

C15H21N3O — CID 81342939

IUPAC4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N(C)Cc1nccn1C
InChIInChI=1S/C15H21N3O/c1-12(10-13-4-6-14(19)7-5-13)18(3)11-15-16-8-9-17(15)2/h4-9,12,19H,10-11H2,1-3H3
InChIKeyCWZAEZBMEAGJPO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.19
Rot. Bonds5

About 4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propyl]phenol

4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propyl]phenol (PubChem CID 81342939) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propyl]phenol
PubChem CID81342939
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N(C)Cc1nccn1C
InChIInChI=1S/C15H21N3O/c1-12(10-13-4-6-14(19)7-5-13)18(3)11-15-16-8-9-17(15)2/h4-9,12,19H,10-11H2,1-3H3
InChIKeyCWZAEZBMEAGJPO-UHFFFAOYSA-N
XLogP2.19
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
(2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 94606646
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 46993022
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine
CID 64708051
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine
CID 63025005
methyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate
CID 79090257
4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol
CID 61214125
4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline
CID 63013171
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1-N-pentylpropane-1,2-diamine
CID 55144619
(1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 97211639
1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 75369079
4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63793316

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propyl]phenol?
The IUPAC name of 4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propyl]phenol (CID 81342939) is 4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propyl]phenol.
What is the SMILES notation for 4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propyl]phenol?
The canonical SMILES for 4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propyl]phenol is CC(Cc1ccc(O)cc1)N(C)Cc1nccn1C.
What is the InChIKey of 4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propyl]phenol?
The InChIKey is CWZAEZBMEAGJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(10-13-4-6-14(19)7-5-13)18(3)11-15-16-8-9-17(15)2/h4-9,12,19H,10-11H2,1-3H3.
What are the key properties of 4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propyl]phenol?
4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propyl]phenol has a molecular weight of 259.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propyl]phenol is sourced from PubChem (CID 81342939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).