[1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine

C14H19F2NO — CID 117391287

IUPAC[1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
SMILESCOCc1c(F)cc(C2(CN)CCCC2)cc1F
InChIInChI=1S/C14H19F2NO/c1-18-8-11-12(15)6-10(7-13(11)16)14(9-17)4-2-3-5-14/h6-7H,2-5,8-9,17H2,1H3
InChIKeySTYAAMDGOUXCRJ-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.88
Rot. Bonds4

About [1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine

[1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine (PubChem CID 117391287) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is [1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
PubChem CID117391287
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name[1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
SMILESCOCc1c(F)cc(C2(CN)CCCC2)cc1F
InChIInChI=1S/C14H19F2NO/c1-18-8-11-12(15)6-10(7-13(11)16)14(9-17)4-2-3-5-14/h6-7H,2-5,8-9,17H2,1H3
InChIKeySTYAAMDGOUXCRJ-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine
CID 117418082
[1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine
CID 117351226
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine
CID 117347270
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
[1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117468012
[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine
CID 84788177
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine
CID 117320148
[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine
CID 82026903
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
5-[1-(aminomethyl)cyclopentyl]-3-fluoro-2-methoxybenzoic acid
CID 117421579
[1-(3-fluoro-5-methylphenyl)cyclopentyl]methanamine
CID 84779814

Frequently Asked Questions

What is the IUPAC name of [1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine (CID 117391287) is [1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine is COCc1c(F)cc(C2(CN)CCCC2)cc1F.
What is the InChIKey of [1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine?
The InChIKey is STYAAMDGOUXCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-18-8-11-12(15)6-10(7-13(11)16)14(9-17)4-2-3-5-14/h6-7H,2-5,8-9,17H2,1H3.
What are the key properties of [1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine?
[1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine has a molecular weight of 255.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine is sourced from PubChem (CID 117391287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).