cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine

C14H19F2NO — CID 114981451

IUPACcyclohexyl-[2-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1ccccc1OC(F)F)C1CCCCC1
InChIInChI=1S/C14H19F2NO/c15-14(16)18-12-9-5-4-8-11(12)13(17)10-6-2-1-3-7-10/h4-5,8-10,13-14H,1-3,6-7,17H2
InChIKeyWFBOZEAYVATJFU-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.87
Rot. Bonds4

About cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine

cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine (PubChem CID 114981451) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Namecyclohexyl-[2-(difluoromethoxy)phenyl]methanamine
PubChem CID114981451
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Namecyclohexyl-[2-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1ccccc1OC(F)F)C1CCCCC1
InChIInChI=1S/C14H19F2NO/c15-14(16)18-12-9-5-4-8-11(12)13(17)10-6-2-1-3-7-10/h4-5,8-10,13-14H,1-3,6-7,17H2
InChIKeyWFBOZEAYVATJFU-UHFFFAOYSA-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)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171230981
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
(1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine
CID 81390973
(R)-cyclopropyl-(2-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171211944
(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride
CID 171208551
N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 114981698
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(S)-cyclopentyl-(2-phenylmethoxyphenyl)methanamine
CID 171233921
cyclohexyl-(2-iodophenyl)methanamine
CID 112630996
cycloheptyl-(2-iodophenyl)methanamine
CID 105027819
7-bicyclo[4.1.0]heptanyl-(2-propan-2-yloxyphenyl)methanamine
CID 105018412
2-[(S)-amino(cyclopentyl)methyl]phenol
CID 130665653

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine?
The IUPAC name of cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine (CID 114981451) is cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine.
What is the SMILES notation for cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine?
The canonical SMILES for cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine is NC(c1ccccc1OC(F)F)C1CCCCC1.
What is the InChIKey of cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine?
The InChIKey is WFBOZEAYVATJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c15-14(16)18-12-9-5-4-8-11(12)13(17)10-6-2-1-3-7-10/h4-5,8-10,13-14H,1-3,6-7,17H2.
What are the key properties of cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine?
cyclohexyl-[2-(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 cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 114981451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).