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

C13H17ClFNO — CID 117397977

IUPAC[1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
SMILESCOc1cc(F)cc(C2(CN)CCCC2)c1Cl
InChIInChI=1S/C13H17ClFNO/c1-17-11-7-9(15)6-10(12(11)14)13(8-16)4-2-3-5-13/h6-7H,2-5,8,16H2,1H3
InChIKeyPRWHWRJJPGEMFI-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.26
Rot. Bonds3

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

[1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine (PubChem CID 117397977) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is [1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
PubChem CID117397977
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name[1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
SMILESCOc1cc(F)cc(C2(CN)CCCC2)c1Cl
InChIInChI=1S/C13H17ClFNO/c1-17-11-7-9(15)6-10(12(11)14)13(8-16)4-2-3-5-13/h6-7H,2-5,8,16H2,1H3
InChIKeyPRWHWRJJPGEMFI-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117355086
[1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine
CID 117404130
[1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine
CID 117403554
[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117448113
[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368
[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117432370
[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine
CID 117441409
[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117422005
2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol
CID 84802258
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine
CID 84798723

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine (CID 117397977) is [1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine is COc1cc(F)cc(C2(CN)CCCC2)c1Cl.
What is the InChIKey of [1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine?
The InChIKey is PRWHWRJJPGEMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-17-11-7-9(15)6-10(12(11)14)13(8-16)4-2-3-5-13/h6-7H,2-5,8,16H2,1H3.
What are the key properties of [1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine?
[1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine has a molecular weight of 257.74 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117397977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).