3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol

C14H19N3O — CID 71176034

IUPAC3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol
SMILESCN(CCCn1ccnc1)Cc1cccc(O)c1
InChIInChI=1S/C14H19N3O/c1-16(7-3-8-17-9-6-15-12-17)11-13-4-2-5-14(18)10-13/h2,4-6,9-10,12,18H,3,7-8,11H2,1H3
InChIKeyKHDKABKAFCKFOV-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.11
Rot. Bonds6

About 3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol

3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol (PubChem CID 71176034) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol
PubChem CID71176034
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol
SMILESCN(CCCn1ccnc1)Cc1cccc(O)c1
InChIInChI=1S/C14H19N3O/c1-16(7-3-8-17-9-6-15-12-17)11-13-4-2-5-14(18)10-13/h2,4-6,9-10,12,18H,3,7-8,11H2,1H3
InChIKeyKHDKABKAFCKFOV-UHFFFAOYSA-N
XLogP2.11
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]benzenecarbothioamide
CID 62967905
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid
CID 61492835
2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid
CID 126755730
3-(3-imidazol-1-ylpropoxy)phenol
CID 61492833
1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol
CID 62334128
N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-3-imidazol-1-yl-N-methylpropan-1-amine
CID 75483099
tert-butyl N-[[3-[[[3-imidazol-1-ylpropyl(methyl)carbamoyl]amino]methyl]phenyl]methyl]-N-methylcarbamate
CID 146146025
3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 79672837
2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine
CID 75435415
3-imidazol-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 171912724
[benzyl(3-imidazol-1-ylpropyl)amino]methanol;prop-1-yne
CID 142002586

Frequently Asked Questions

What is the IUPAC name of 3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol?
The IUPAC name of 3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol (CID 71176034) is 3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol.
What is the SMILES notation for 3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol?
The canonical SMILES for 3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol is CN(CCCn1ccnc1)Cc1cccc(O)c1.
What is the InChIKey of 3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol?
The InChIKey is KHDKABKAFCKFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-16(7-3-8-17-9-6-15-12-17)11-13-4-2-5-14(18)10-13/h2,4-6,9-10,12,18H,3,7-8,11H2,1H3.
What are the key properties of 3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol?
3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol has a molecular weight of 245.33 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol is sourced from PubChem (CID 71176034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).