1-[2-(1,1-difluoroethyl)-6-methoxyphenyl]cyclopentan-1-amine

C14H19F2NO — CID 117391217

IUPAC1-[2-(1,1-difluoroethyl)-6-methoxyphenyl]cyclopentan-1-amine
SMILESCOc1cccc(C(C)(F)F)c1C1(N)CCCC1
InChIInChI=1S/C14H19F2NO/c1-13(15,16)10-6-5-7-11(18-2)12(10)14(17)8-3-4-9-14/h5-7H,3-4,8-9,17H2,1-2H3
InChIKeyLCNDDCIGCKAJNX-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.53
Rot. Bonds3

About 1-[2-(1,1-difluoroethyl)-6-methoxyphenyl]cyclopentan-1-amine

1-[2-(1,1-difluoroethyl)-6-methoxyphenyl]cyclopentan-1-amine (PubChem CID 117391217) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethyl)-6-methoxyphenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethyl)-6-methoxyphenyl]cyclopentan-1-amine
PubChem CID117391217
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-[2-(1,1-difluoroethyl)-6-methoxyphenyl]cyclopentan-1-amine
SMILESCOc1cccc(C(C)(F)F)c1C1(N)CCCC1
InChIInChI=1S/C14H19F2NO/c1-13(15,16)10-6-5-7-11(18-2)12(10)14(17)8-3-4-9-14/h5-7H,3-4,8-9,17H2,1-2H3
InChIKeyLCNDDCIGCKAJNX-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopentyl)-6-methoxy-3-(trifluoromethyl)phenol
CID 117439908
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine
CID 117347338
1-(2-methoxy-6-methylsulfanylphenyl)cyclohexan-1-amine
CID 117382282
1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 117488350
1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine
CID 84800959
1-[2-chloro-6-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 117413992
1-(2,6-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 116809940
(E)-3-[2-(1,1-difluoroethyl)-6-methoxyphenyl]prop-2-en-1-amine
CID 117326640
1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine
CID 117451883
1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine
CID 117303912
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
1-(8-methoxyquinolin-4-yl)cyclohexan-1-amine
CID 82665358

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethyl)-6-methoxyphenyl]cyclopentan-1-amine?
The IUPAC name of 1-[2-(1,1-difluoroethyl)-6-methoxyphenyl]cyclopentan-1-amine (CID 117391217) is 1-[2-(1,1-difluoroethyl)-6-methoxyphenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-(1,1-difluoroethyl)-6-methoxyphenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-(1,1-difluoroethyl)-6-methoxyphenyl]cyclopentan-1-amine is COc1cccc(C(C)(F)F)c1C1(N)CCCC1.
What is the InChIKey of 1-[2-(1,1-difluoroethyl)-6-methoxyphenyl]cyclopentan-1-amine?
The InChIKey is LCNDDCIGCKAJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-13(15,16)10-6-5-7-11(18-2)12(10)14(17)8-3-4-9-14/h5-7H,3-4,8-9,17H2,1-2H3.
What are the key properties of 1-[2-(1,1-difluoroethyl)-6-methoxyphenyl]cyclopentan-1-amine?
1-[2-(1,1-difluoroethyl)-6-methoxyphenyl]cyclopentan-1-amine has a molecular weight of 255.31 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroethyl)-6-methoxyphenyl]cyclopentan-1-amine is sourced from PubChem (CID 117391217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).