1-(2-cyclopentyloxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine

C17H23N3O — CID 119110144

IUPAC1-(2-cyclopentyloxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
SMILESCn1cncc1CNCc1ccccc1OC1CCCC1
InChIInChI=1S/C17H23N3O/c1-20-13-19-12-15(20)11-18-10-14-6-2-5-9-17(14)21-16-7-3-4-8-16/h2,5-6,9,12-13,16,18H,3-4,7-8,10-11H2,1H3
InChIKeyFZJZONOEXHUEAF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.03
Rot. Bonds6

About 1-(2-cyclopentyloxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine

1-(2-cyclopentyloxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine (PubChem CID 119110144) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2-cyclopentyloxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-cyclopentyloxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
PubChem CID119110144
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(2-cyclopentyloxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
SMILESCn1cncc1CNCc1ccccc1OC1CCCC1
InChIInChI=1S/C17H23N3O/c1-20-13-19-12-15(20)11-18-10-14-6-2-5-9-17(14)21-16-7-3-4-8-16/h2,5-6,9,12-13,16,18H,3-4,7-8,10-11H2,1H3
InChIKeyFZJZONOEXHUEAF-UHFFFAOYSA-N
XLogP3.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclohexyloxyphenyl)methyl]ethanamine
CID 43277237
1-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 124689981
1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457624
N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 82927515
1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 63379414
N-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 39433302
N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969677
N-[(2-cyclopentyloxyphenyl)methyl]aniline
CID 39366714
1-[2-(difluoromethoxy)phenyl]-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 66134173
(4S,5R)-4-[[(2-cyclopentyloxyphenyl)methylamino]methyl]-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 129005138
N-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline
CID 39381668
N-[(2-cyclobutyloxyphenyl)methyl]pyrazin-2-amine
CID 133308784

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyloxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-cyclopentyloxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine (CID 119110144) is 1-(2-cyclopentyloxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-cyclopentyloxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-cyclopentyloxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine is Cn1cncc1CNCc1ccccc1OC1CCCC1.
What is the InChIKey of 1-(2-cyclopentyloxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The InChIKey is FZJZONOEXHUEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20-13-19-12-15(20)11-18-10-14-6-2-5-9-17(14)21-16-7-3-4-8-16/h2,5-6,9,12-13,16,18H,3-4,7-8,10-11H2,1H3.
What are the key properties of 1-(2-cyclopentyloxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine?
1-(2-cyclopentyloxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyloxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 119110144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).