[3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine

C17H23N3O — CID 114706152

IUPAC[3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine
SMILESNC(c1ccccc1)c1cncn1CCOC1CCCC1
InChIInChI=1S/C17H23N3O/c18-17(14-6-2-1-3-7-14)16-12-19-13-20(16)10-11-21-15-8-4-5-9-15/h1-3,6-7,12-13,15,17H,4-5,8-11,18H2
InChIKeyGHOABNBZRZVNOQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.89
Rot. Bonds6

About [3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine

[3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine (PubChem CID 114706152) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine.

Molecular Properties

Compound Name[3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine
PubChem CID114706152
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine
SMILESNC(c1ccccc1)c1cncn1CCOC1CCCC1
InChIInChI=1S/C17H23N3O/c18-17(14-6-2-1-3-7-14)16-12-19-13-20(16)10-11-21-15-8-4-5-9-15/h1-3,6-7,12-13,15,17H,4-5,8-11,18H2
InChIKeyGHOABNBZRZVNOQ-UHFFFAOYSA-N
XLogP2.89
TPSA53.07 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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-(2-cyclopentyloxyethyl)imidazol-4-yl]ethanamine
CID 104943161
N-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 114705602
[3-(2-methylcyclopentyl)imidazol-4-yl]-phenylmethanamine
CID 114706106
[3-(2-methoxycyclopentyl)imidazol-4-yl]-phenylmethanamine
CID 114705586
N-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66151207
ethyl 4-[5-[amino(phenyl)methyl]imidazol-1-yl]butanoate
CID 114706337
[3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine
CID 114706842
phenyl-[3-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine
CID 114705145
[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine
CID 106040980
[3-(2-methylsulfinylpropyl)imidazol-4-yl]-phenylmethanamine
CID 114707566
2-cyclopentyloxy-1-pyridin-3-ylethanamine
CID 141329792
[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine
CID 114704846

Frequently Asked Questions

What is the IUPAC name of [3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine?
The IUPAC name of [3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine (CID 114706152) is [3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine.
What is the SMILES notation for [3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine?
The canonical SMILES for [3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine is NC(c1ccccc1)c1cncn1CCOC1CCCC1.
What is the InChIKey of [3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine?
The InChIKey is GHOABNBZRZVNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-17(14-6-2-1-3-7-14)16-12-19-13-20(16)10-11-21-15-8-4-5-9-15/h1-3,6-7,12-13,15,17H,4-5,8-11,18H2.
What are the key properties of [3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine?
[3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine is sourced from PubChem (CID 114706152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).