[1-[2-(difluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine

C14H19F2NO — CID 117391291

IUPAC[1-[2-(difluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
SMILESCOc1cccc(C2(CN)CCCC2)c1C(F)F
InChIInChI=1S/C14H19F2NO/c1-18-11-6-4-5-10(12(11)13(15)16)14(9-17)7-2-3-8-14/h4-6,13H,2-3,7-9,17H2,1H3
InChIKeyXLEBIEBAXHHKMJ-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.40
Rot. Bonds4

About [1-[2-(difluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine

[1-[2-(difluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine (PubChem CID 117391291) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is [1-[2-(difluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[2-(difluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
PubChem CID117391291
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name[1-[2-(difluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
SMILESCOc1cccc(C2(CN)CCCC2)c1C(F)F
InChIInChI=1S/C14H19F2NO/c1-18-11-6-4-5-10(12(11)13(15)16)14(9-17)7-2-3-8-14/h4-6,13H,2-3,7-9,17H2,1H3
InChIKeyXLEBIEBAXHHKMJ-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
CID 117347425
[1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377419
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
1-[2-(difluoromethyl)-3-methoxyphenyl]cyclohexane-1-carboxylic acid
CID 117457679
[1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine
CID 117426647
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
CID 117459820
1-[2-(difluoromethyl)-3-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117393640
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine
CID 84798723

Frequently Asked Questions

What is the IUPAC name of [1-[2-(difluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[2-(difluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine (CID 117391291) is [1-[2-(difluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[2-(difluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[2-(difluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine is COc1cccc(C2(CN)CCCC2)c1C(F)F.
What is the InChIKey of [1-[2-(difluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine?
The InChIKey is XLEBIEBAXHHKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-18-11-6-4-5-10(12(11)13(15)16)14(9-17)7-2-3-8-14/h4-6,13H,2-3,7-9,17H2,1H3.
What are the key properties of [1-[2-(difluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine?
[1-[2-(difluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine has a molecular weight of 255.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(difluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine is sourced from PubChem (CID 117391291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).