(R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine

C14H19F2NO — CID 171206139

IUPAC(R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine
SMILESN[C@@H](c1cccc(OC(F)F)c1)C1CCCCC1
InChIInChI=1S/C14H19F2NO/c15-14(16)18-12-8-4-7-11(9-12)13(17)10-5-2-1-3-6-10/h4,7-10,13-14H,1-3,5-6,17H2/t13-/m1/s1
InChIKeyCPUGKMBWFXVHQR-CYBMUJFWSA-N
MW255.31 g/mol
LogP3.87
Rot. Bonds4

About (R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine

(R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine (PubChem CID 171206139) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is (R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine
PubChem CID171206139
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name(R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine
SMILESN[C@@H](c1cccc(OC(F)F)c1)C1CCCCC1
InChIInChI=1S/C14H19F2NO/c15-14(16)18-12-8-4-7-11(9-12)13(17)10-5-2-1-3-6-10/h4,7-10,13-14H,1-3,5-6,17H2/t13-/m1/s1
InChIKeyCPUGKMBWFXVHQR-CYBMUJFWSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171225709
(R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171206136
(R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride
CID 171314391
(1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171262769
[cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine
CID 105330629
(S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride
CID 171220083
(1R,2S)-2-amino-1-cyclopropyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268438
(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171225239
(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199156
(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171210195
N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine
CID 43200712
1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171165047

Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine?
The IUPAC name of (R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine (CID 171206139) is (R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine?
The canonical SMILES for (R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine is N[C@@H](c1cccc(OC(F)F)c1)C1CCCCC1.
What is the InChIKey of (R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine?
The InChIKey is CPUGKMBWFXVHQR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19F2NO/c15-14(16)18-12-8-4-7-11(9-12)13(17)10-5-2-1-3-6-10/h4,7-10,13-14H,1-3,5-6,17H2/t13-/m1/s1.
What are the key properties of (R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine?
(R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine has a molecular weight of 255.31 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 171206139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).