[1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine

C16H22ClNO2 — CID 117476564

IUPAC[1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
SMILESCOc1cc(Cl)cc(C2(CN)CCCC2)c1OC1CC1
InChIInChI=1S/C16H22ClNO2/c1-19-14-9-11(17)8-13(15(14)20-12-4-5-12)16(10-18)6-2-3-7-16/h8-9,12H,2-7,10,18H2,1H3
InChIKeyBWHOJUVULHCFCF-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.66
Rot. Bonds5

About [1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine

[1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine (PubChem CID 117476564) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is [1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
PubChem CID117476564
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name[1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
SMILESCOc1cc(Cl)cc(C2(CN)CCCC2)c1OC1CC1
InChIInChI=1S/C16H22ClNO2/c1-19-14-9-11(17)8-13(15(14)20-12-4-5-12)16(10-18)6-2-3-7-16/h8-9,12H,2-7,10,18H2,1H3
InChIKeyBWHOJUVULHCFCF-UHFFFAOYSA-N
XLogP3.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117448113
1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclohexan-1-amine
CID 117476614
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
[1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 117497040
1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117494437
[1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine
CID 117404130
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopropan-1-ol
CID 117454602
5-chloro-2-cyclopropyloxy-1-(1-isocyanatocyclopentyl)-3-methoxybenzene
CID 117492677
[1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117423578
[1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117377027
[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine
CID 117492478

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine (CID 117476564) is [1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine is COc1cc(Cl)cc(C2(CN)CCCC2)c1OC1CC1.
What is the InChIKey of [1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine?
The InChIKey is BWHOJUVULHCFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-19-14-9-11(17)8-13(15(14)20-12-4-5-12)16(10-18)6-2-3-7-16/h8-9,12H,2-7,10,18H2,1H3.
What are the key properties of [1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine?
[1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine has a molecular weight of 295.81 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117476564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).