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

C17H23N3O — CID 91838680

IUPAC3-[[cyclopropyl-[3-(2-methylimidazol-1-yl)propyl]amino]methyl]phenol
SMILESCc1nccn1CCCN(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C17H23N3O/c1-14-18-8-11-19(14)9-3-10-20(16-6-7-16)13-15-4-2-5-17(21)12-15/h2,4-5,8,11-12,16,21H,3,6-7,9-10,13H2,1H3
InChIKeyPDZZNCRXEYHORW-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.95
Rot. Bonds7

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

3-[[cyclopropyl-[3-(2-methylimidazol-1-yl)propyl]amino]methyl]phenol (PubChem CID 91838680) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[[cyclopropyl-[3-(2-methylimidazol-1-yl)propyl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[cyclopropyl-[3-(2-methylimidazol-1-yl)propyl]amino]methyl]phenol
PubChem CID91838680
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[[cyclopropyl-[3-(2-methylimidazol-1-yl)propyl]amino]methyl]phenol
SMILESCc1nccn1CCCN(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C17H23N3O/c1-14-18-8-11-19(14)9-3-10-20(16-6-7-16)13-15-4-2-5-17(21)12-15/h2,4-5,8,11-12,16,21H,3,6-7,9-10,13H2,1H3
InChIKeyPDZZNCRXEYHORW-UHFFFAOYSA-N
XLogP2.95
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol
CID 111434933
3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
CID 65054828
3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol
CID 56795293
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102679360
3-[cyclopropyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N'-hydroxypropanimidamide
CID 54997728
N-(2-chloroethyl)-N-[2-(2-methylimidazol-1-yl)ethyl]cyclobutanamine
CID 102861371
3-[[(4-hydroxycyclohexyl)-[(2-methyl-1,3-oxazol-5-yl)methyl]amino]methyl]phenol
CID 146138888
N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 74238312
3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol
CID 82982762
(1R)-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 124614462
3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol
CID 110919062
3-[[(4-hydroxycyclohexyl)-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]phenol
CID 110009067

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl-[3-(2-methylimidazol-1-yl)propyl]amino]methyl]phenol?
The IUPAC name of 3-[[cyclopropyl-[3-(2-methylimidazol-1-yl)propyl]amino]methyl]phenol (CID 91838680) is 3-[[cyclopropyl-[3-(2-methylimidazol-1-yl)propyl]amino]methyl]phenol.
What is the SMILES notation for 3-[[cyclopropyl-[3-(2-methylimidazol-1-yl)propyl]amino]methyl]phenol?
The canonical SMILES for 3-[[cyclopropyl-[3-(2-methylimidazol-1-yl)propyl]amino]methyl]phenol is Cc1nccn1CCCN(Cc1cccc(O)c1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl-[3-(2-methylimidazol-1-yl)propyl]amino]methyl]phenol?
The InChIKey is PDZZNCRXEYHORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14-18-8-11-19(14)9-3-10-20(16-6-7-16)13-15-4-2-5-17(21)12-15/h2,4-5,8,11-12,16,21H,3,6-7,9-10,13H2,1H3.
What are the key properties of 3-[[cyclopropyl-[3-(2-methylimidazol-1-yl)propyl]amino]methyl]phenol?
3-[[cyclopropyl-[3-(2-methylimidazol-1-yl)propyl]amino]methyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl-[3-(2-methylimidazol-1-yl)propyl]amino]methyl]phenol is sourced from PubChem (CID 91838680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).