[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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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).