N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine

C16H23F2NO — CID 114981698

IUPACN-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNC(c1ccccc1OC(F)F)C1CCCCC1
InChIInChI=1S/C16H23F2NO/c1-2-19-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)20-16(17)18/h6-7,10-12,15-16,19H,2-5,8-9H2,1H3
InChIKeyKZFCMMJSIVVMBC-UHFFFAOYSA-N
MW283.36 g/mol
LogP4.52
Rot. Bonds6

About N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine

N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 114981698) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine
PubChem CID114981698
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC NameN-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNC(c1ccccc1OC(F)F)C1CCCCC1
InChIInChI=1S/C16H23F2NO/c1-2-19-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)20-16(17)18/h6-7,10-12,15-16,19H,2-5,8-9H2,1H3
InChIKeyKZFCMMJSIVVMBC-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine
CID 104988207
N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine
CID 115856059
(1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine
CID 81390973
cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine
CID 114981451
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115847444
1-cyclopentyl-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 62801897
N-[cyclopentyl(naphthalen-1-yl)methyl]ethanamine
CID 55187374
N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine
CID 115778732
N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine
CID 106645693
2-(cyclopentylamino)-2-[2-(difluoromethoxy)phenyl]ethanol
CID 61053945
N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 64712638

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine (CID 114981698) is N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine is CCNC(c1ccccc1OC(F)F)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is KZFCMMJSIVVMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-2-19-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)20-16(17)18/h6-7,10-12,15-16,19H,2-5,8-9H2,1H3.
What are the key properties of N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine?
N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 283.36 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 114981698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).