(1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine

C17H25F2NO — CID 81390973

IUPAC(1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine
SMILESCC(N[C@@H](C)C1CCCCC1)c1ccccc1OC(F)F
InChIInChI=1S/C17H25F2NO/c1-12(14-8-4-3-5-9-14)20-13(2)15-10-6-7-11-16(15)21-17(18)19/h6-7,10-14,17,20H,3-5,8-9H2,1-2H3/t12-,13?/m0/s1
InChIKeyJYYLHZHPYYKVKF-UEWDXFNNSA-N
MW297.39 g/mol
LogP4.91
Rot. Bonds6

About (1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine

(1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine (PubChem CID 81390973) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine
PubChem CID81390973
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name(1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine
SMILESCC(N[C@@H](C)C1CCCCC1)c1ccccc1OC(F)F
InChIInChI=1S/C17H25F2NO/c1-12(14-8-4-3-5-9-14)20-13(2)15-10-6-7-11-16(15)21-17(18)19/h6-7,10-14,17,20H,3-5,8-9H2,1-2H3/t12-,13?/m0/s1
InChIKeyJYYLHZHPYYKVKF-UEWDXFNNSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81390722
1-cyclopropyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 81397213
N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline
CID 43766730
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383230
cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine
CID 114981451
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 81384547
(1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine
CID 81389871
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383884
N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 114981698
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopentylethanamine
CID 81395665
N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine
CID 113262690
N-[1-[2-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine
CID 83006799

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine (CID 81390973) is (1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine is CC(N[C@@H](C)C1CCCCC1)c1ccccc1OC(F)F.
What is the InChIKey of (1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine?
The InChIKey is JYYLHZHPYYKVKF-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-12(14-8-4-3-5-9-14)20-13(2)15-10-6-7-11-16(15)21-17(18)19/h6-7,10-14,17,20H,3-5,8-9H2,1-2H3/t12-,13?/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine?
(1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine has a molecular weight of 297.39 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine is sourced from PubChem (CID 81390973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).