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

C16H21N3O — CID 114705586

IUPAC[3-(2-methoxycyclopentyl)imidazol-4-yl]-phenylmethanamine
SMILESCOC1CCCC1n1cncc1C(N)c1ccccc1
InChIInChI=1S/C16H21N3O/c1-20-15-9-5-8-13(15)19-11-18-10-14(19)16(17)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,15-16H,5,8-9,17H2,1H3
InChIKeyVBRIAONHBNCNIX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.67
Rot. Bonds4

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

[3-(2-methoxycyclopentyl)imidazol-4-yl]-phenylmethanamine (PubChem CID 114705586) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [3-(2-methoxycyclopentyl)imidazol-4-yl]-phenylmethanamine.

Molecular Properties

Compound Name[3-(2-methoxycyclopentyl)imidazol-4-yl]-phenylmethanamine
PubChem CID114705586
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[3-(2-methoxycyclopentyl)imidazol-4-yl]-phenylmethanamine
SMILESCOC1CCCC1n1cncc1C(N)c1ccccc1
InChIInChI=1S/C16H21N3O/c1-20-15-9-5-8-13(15)19-11-18-10-14(19)16(17)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,15-16H,5,8-9,17H2,1H3
InChIKeyVBRIAONHBNCNIX-UHFFFAOYSA-N
XLogP2.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-methylcyclopentyl)imidazol-4-yl]-phenylmethanamine
CID 114706106
[3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine
CID 114706152
[3-(1-ethylcyclobutyl)imidazol-4-yl]-phenylmethanamine
CID 114707422
(1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine
CID 104941977
N-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 114705602
3-amino-1-[(2R)-2-methoxycyclopentyl]pyridin-2-one
CID 137450052
1-(2-methoxycyclopentyl)imidazol-2-amine
CID 106569883
tert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate
CID 114705588
(1R)-1-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]ethanamine
CID 104942556
(2-cyclobutyloxy-2-oxoethyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 118246213
[3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine
CID 114706842
2-(3-cyclopropylimidazol-4-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531900

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxycyclopentyl)imidazol-4-yl]-phenylmethanamine?
The IUPAC name of [3-(2-methoxycyclopentyl)imidazol-4-yl]-phenylmethanamine (CID 114705586) is [3-(2-methoxycyclopentyl)imidazol-4-yl]-phenylmethanamine.
What is the SMILES notation for [3-(2-methoxycyclopentyl)imidazol-4-yl]-phenylmethanamine?
The canonical SMILES for [3-(2-methoxycyclopentyl)imidazol-4-yl]-phenylmethanamine is COC1CCCC1n1cncc1C(N)c1ccccc1.
What is the InChIKey of [3-(2-methoxycyclopentyl)imidazol-4-yl]-phenylmethanamine?
The InChIKey is VBRIAONHBNCNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-15-9-5-8-13(15)19-11-18-10-14(19)16(17)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,15-16H,5,8-9,17H2,1H3.
What are the key properties of [3-(2-methoxycyclopentyl)imidazol-4-yl]-phenylmethanamine?
[3-(2-methoxycyclopentyl)imidazol-4-yl]-phenylmethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxycyclopentyl)imidazol-4-yl]-phenylmethanamine is sourced from PubChem (CID 114705586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).