2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentane-1-carboxylic acid

C15H19F2NO2 — CID 115529683

IUPAC2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1CNCc1cccc(C(F)F)c1
InChIInChI=1S/C15H19F2NO2/c16-14(17)11-4-1-3-10(7-11)8-18-9-12-5-2-6-13(12)15(19)20/h1,3-4,7,12-14,18H,2,5-6,8-9H2,(H,19,20)
InChIKeyJDAVYYPVPFSWBD-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.21
Rot. Bonds6

About 2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentane-1-carboxylic acid

2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115529683) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115529683
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1CNCc1cccc(C(F)F)c1
InChIInChI=1S/C15H19F2NO2/c16-14(17)11-4-1-3-10(7-11)8-18-9-12-5-2-6-13(12)15(19)20/h1,3-4,7,12-14,18H,2,5-6,8-9H2,(H,19,20)
InChIKeyJDAVYYPVPFSWBD-UHFFFAOYSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 115526586
4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964098
1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine
CID 113328694
2-[[(4-phenylmethoxyphenyl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 113242302
2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 79261219
2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 113328709
3-[[(2,3-dimethylcyclohexyl)methylamino]methyl]benzoic acid
CID 122033784
2-[[(3-cyano-2-fluorophenyl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 107118828
2-[[(2-chloro-5-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 102616862
4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol
CID 114331434
3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol
CID 114093162
1-[[3-(difluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 115529626

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentane-1-carboxylic acid (CID 115529683) is 2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1CNCc1cccc(C(F)F)c1.
What is the InChIKey of 2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is JDAVYYPVPFSWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c16-14(17)11-4-1-3-10(7-11)8-18-9-12-5-2-6-13(12)15(19)20/h1,3-4,7,12-14,18H,2,5-6,8-9H2,(H,19,20).
What are the key properties of 2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentane-1-carboxylic acid?
2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 283.32 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115529683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).