[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine

C13H17F2NO — CID 117355086

IUPAC[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
SMILESCOc1cc(F)cc(C2(CN)CCCC2)c1F
InChIInChI=1S/C13H17F2NO/c1-17-11-7-9(14)6-10(12(11)15)13(8-16)4-2-3-5-13/h6-7H,2-5,8,16H2,1H3
InChIKeyAWQRTFMQWTXBTJ-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.74
Rot. Bonds3

About [1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine

[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine (PubChem CID 117355086) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is [1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
PubChem CID117355086
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
SMILESCOc1cc(F)cc(C2(CN)CCCC2)c1F
InChIInChI=1S/C13H17F2NO/c1-17-11-7-9(14)6-10(12(11)15)13(8-16)4-2-3-5-13/h6-7H,2-5,8,16H2,1H3
InChIKeyAWQRTFMQWTXBTJ-UHFFFAOYSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117422005
[1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117397977
[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117448113
[1-(2,6-difluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459547
[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine
CID 84798723
[1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]methanamine
CID 117386387
[1-(2-fluoro-5-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382086
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382102
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368
[1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117426956
[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117432370

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine (CID 117355086) is [1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine is COc1cc(F)cc(C2(CN)CCCC2)c1F.
What is the InChIKey of [1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine?
The InChIKey is AWQRTFMQWTXBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-17-11-7-9(14)6-10(12(11)15)13(8-16)4-2-3-5-13/h6-7H,2-5,8,16H2,1H3.
What are the key properties of [1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine?
[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine has a molecular weight of 241.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117355086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).