N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine

C18H22N2O2 — CID 152616446

IUPACN-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(CNc2cccnc2)cc1OC1CCCC1
InChIInChI=1S/C18H22N2O2/c1-21-17-9-8-14(12-20-15-5-4-10-19-13-15)11-18(17)22-16-6-2-3-7-16/h4-5,8-11,13,16,20H,2-3,6-7,12H2,1H3
InChIKeyZAPMBKPLQXGKNF-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.02
Rot. Bonds6

About N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine

N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine (PubChem CID 152616446) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine
PubChem CID152616446
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(CNc2cccnc2)cc1OC1CCCC1
InChIInChI=1S/C18H22N2O2/c1-21-17-9-8-14(12-20-15-5-4-10-19-13-15)11-18(17)22-16-6-2-3-7-16/h4-5,8-11,13,16,20H,2-3,6-7,12H2,1H3
InChIKeyZAPMBKPLQXGKNF-UHFFFAOYSA-N
XLogP4.02
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)aniline
CID 22747705
3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyaniline
CID 91408824
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 115004271
2-bromo-4-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6-methylpyrimidine-4,5-diamine
CID 22719775
(3-cyclopentyloxy-4-methoxyphenyl)methyl-(3,5-dichloro-4-pyridinyl)azanium dichloride
CID 22123182
N-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine
CID 22747548
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)piperidin-2-one
CID 67536530
3-cyclopentyloxy-4-methoxy-N-(2-methylphenyl)-N-(pyridin-3-ylmethyl)aniline
CID 18453304
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
(1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 24955185

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine?
The IUPAC name of N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine (CID 152616446) is N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine?
The canonical SMILES for N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine is COc1ccc(CNc2cccnc2)cc1OC1CCCC1.
What is the InChIKey of N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine?
The InChIKey is ZAPMBKPLQXGKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-21-17-9-8-14(12-20-15-5-4-10-19-13-15)11-18(17)22-16-6-2-3-7-16/h4-5,8-11,13,16,20H,2-3,6-7,12H2,1H3.
What are the key properties of N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine?
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine has a molecular weight of 298.39 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 152616446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).