[1-(2-chlorophenyl)-4-cyclopentyloxy-5-methoxy-2H-pyridin-2-yl]methanamine

C18H23ClN2O2 — CID 22145878

IUPAC[1-(2-chlorophenyl)-4-cyclopentyloxy-5-methoxy-2H-pyridin-2-yl]methanamine
SMILESCOC1=CN(c2ccccc2Cl)C(CN)C=C1OC1CCCC1
InChIInChI=1S/C18H23ClN2O2/c1-22-18-12-21(16-9-5-4-8-15(16)19)13(11-20)10-17(18)23-14-6-2-3-7-14/h4-5,8-10,12-14H,2-3,6-7,11,20H2,1H3
InChIKeyFXISFDZBHPFWOK-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.82
Rot. Bonds5

About [1-(2-chlorophenyl)-4-cyclopentyloxy-5-methoxy-2H-pyridin-2-yl]methanamine

[1-(2-chlorophenyl)-4-cyclopentyloxy-5-methoxy-2H-pyridin-2-yl]methanamine (PubChem CID 22145878) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-4-cyclopentyloxy-5-methoxy-2H-pyridin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-4-cyclopentyloxy-5-methoxy-2H-pyridin-2-yl]methanamine
PubChem CID22145878
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name[1-(2-chlorophenyl)-4-cyclopentyloxy-5-methoxy-2H-pyridin-2-yl]methanamine
SMILESCOC1=CN(c2ccccc2Cl)C(CN)C=C1OC1CCCC1
InChIInChI=1S/C18H23ClN2O2/c1-22-18-12-21(16-9-5-4-8-15(16)19)13(11-20)10-17(18)23-14-6-2-3-7-14/h4-5,8-10,12-14H,2-3,6-7,11,20H2,1H3
InChIKeyFXISFDZBHPFWOK-UHFFFAOYSA-N
XLogP3.82
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-4-cyclopentyloxy-5-methoxy-2H-pyridin-2-yl]methanamine?
The IUPAC name of [1-(2-chlorophenyl)-4-cyclopentyloxy-5-methoxy-2H-pyridin-2-yl]methanamine (CID 22145878) is [1-(2-chlorophenyl)-4-cyclopentyloxy-5-methoxy-2H-pyridin-2-yl]methanamine.
What is the SMILES notation for [1-(2-chlorophenyl)-4-cyclopentyloxy-5-methoxy-2H-pyridin-2-yl]methanamine?
The canonical SMILES for [1-(2-chlorophenyl)-4-cyclopentyloxy-5-methoxy-2H-pyridin-2-yl]methanamine is COC1=CN(c2ccccc2Cl)C(CN)C=C1OC1CCCC1.
What is the InChIKey of [1-(2-chlorophenyl)-4-cyclopentyloxy-5-methoxy-2H-pyridin-2-yl]methanamine?
The InChIKey is FXISFDZBHPFWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-22-18-12-21(16-9-5-4-8-15(16)19)13(11-20)10-17(18)23-14-6-2-3-7-14/h4-5,8-10,12-14H,2-3,6-7,11,20H2,1H3.
What are the key properties of [1-(2-chlorophenyl)-4-cyclopentyloxy-5-methoxy-2H-pyridin-2-yl]methanamine?
[1-(2-chlorophenyl)-4-cyclopentyloxy-5-methoxy-2H-pyridin-2-yl]methanamine has a molecular weight of 334.85 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-4-cyclopentyloxy-5-methoxy-2H-pyridin-2-yl]methanamine is sourced from PubChem (CID 22145878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).