2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentan-1-ol

C14H19F2NO — CID 115526586

IUPAC2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNCc1cccc(C(F)F)c1
InChIInChI=1S/C14H19F2NO/c15-14(16)11-4-1-3-10(7-11)8-17-9-12-5-2-6-13(12)18/h1,3-4,7,12-14,17-18H,2,5-6,8-9H2
InChIKeyIWAQLOGBKRIDGC-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.87
Rot. Bonds5

About 2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentan-1-ol

2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentan-1-ol (PubChem CID 115526586) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
PubChem CID115526586
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNCc1cccc(C(F)F)c1
InChIInChI=1S/C14H19F2NO/c15-14(16)11-4-1-3-10(7-11)8-17-9-12-5-2-6-13(12)18/h1,3-4,7,12-14,17-18H,2,5-6,8-9H2
InChIKeyIWAQLOGBKRIDGC-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentane-1-carboxylic acid
CID 115529683
1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine
CID 113328694
4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964098
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride
CID 12651711
trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
CID 13427956
2-[(benzylamino)methyl]cycloheptan-1-ol
CID 13427953
2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 113328709
4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol
CID 114331434
2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926870
4-[[3-(difluoromethyl)phenyl]methylamino]butan-2-ol
CID 115526556
2-[[(3-nitro-4-propan-2-ylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 111469366

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentan-1-ol (CID 115526586) is 2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentan-1-ol is OC1CCCC1CNCc1cccc(C(F)F)c1.
What is the InChIKey of 2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentan-1-ol?
The InChIKey is IWAQLOGBKRIDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c15-14(16)11-4-1-3-10(7-11)8-17-9-12-5-2-6-13(12)18/h1,3-4,7,12-14,17-18H,2,5-6,8-9H2.
What are the key properties of 2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentan-1-ol?
2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentan-1-ol has a molecular weight of 255.31 g/mol, XLogP of 2.87, 5 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]cyclopentan-1-ol is sourced from PubChem (CID 115526586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).