2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol

C15H21F2NO — CID 79865443

IUPAC2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(CN)(Cc2cccc(F)c2F)C1O
InChIInChI=1S/C15H21F2NO/c1-14(2)6-7-15(9-18,13(14)19)8-10-4-3-5-11(16)12(10)17/h3-5,13,19H,6-9,18H2,1-2H3
InChIKeyZAIXJFQNDUUBIK-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.63
Rot. Bonds3

About 2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol

2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol (PubChem CID 79865443) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol
PubChem CID79865443
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(CN)(Cc2cccc(F)c2F)C1O
InChIInChI=1S/C15H21F2NO/c1-14(2)6-7-15(9-18,13(14)19)8-10-4-3-5-11(16)12(10)17/h3-5,13,19H,6-9,18H2,1-2H3
InChIKeyZAIXJFQNDUUBIK-UHFFFAOYSA-N
XLogP2.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-[(2,5-difluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855011
[2-[(2,3-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 62740993
[1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
CID 65391305
2-[(2,3-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 115401287
(2,3-difluorophenyl)methanamine
CID 2736941
4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine
CID 63408034
1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147733
2-(aminomethyl)-2-(methoxymethyl)-5,5-dimethylcyclopentan-1-ol
CID 130515088
1-[[1-(bromomethyl)cyclobutyl]methyl]-2,3-difluorobenzene
CID 66048663
2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine
CID 66466439
1-[1-(aminomethyl)cyclohexyl]-3-(2,3-difluorophenyl)propan-2-one
CID 116614499
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,3-difluorophenyl)ethanone
CID 120805703

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol (CID 79865443) is 2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol is CC1(C)CCC(CN)(Cc2cccc(F)c2F)C1O.
What is the InChIKey of 2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol?
The InChIKey is ZAIXJFQNDUUBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-14(2)6-7-15(9-18,13(14)19)8-10-4-3-5-11(16)12(10)17/h3-5,13,19H,6-9,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol?
2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol has a molecular weight of 269.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol is sourced from PubChem (CID 79865443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).