N-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine

C17H25F2NO — CID 104988207

IUPACN-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccccc1OC(F)F)C1CCC(C)CC1
InChIInChI=1S/C17H25F2NO/c1-3-20-16(13-10-8-12(2)9-11-13)14-6-4-5-7-15(14)21-17(18)19/h4-7,12-13,16-17,20H,3,8-11H2,1-2H3
InChIKeyPWVJYSRZNLGRFC-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.76
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine

N-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine (PubChem CID 104988207) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine
PubChem CID104988207
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC NameN-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccccc1OC(F)F)C1CCC(C)CC1
InChIInChI=1S/C17H25F2NO/c1-3-20-16(13-10-8-12(2)9-11-13)14-6-4-5-7-15(14)21-17(18)19/h4-7,12-13,16-17,20H,3,8-11H2,1-2H3
InChIKeyPWVJYSRZNLGRFC-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 114981698
N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine
CID 115856059
N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 63415395
N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine
CID 105157205
N-[(2,3-difluoro-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 107513270
N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115847444
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine
CID 115837696
N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988095
N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
CID 105035798
[(2-methoxyphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105191189
N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine
CID 80604477

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine (CID 104988207) is N-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine is CCNC(c1ccccc1OC(F)F)C1CCC(C)CC1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is PWVJYSRZNLGRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-3-20-16(13-10-8-12(2)9-11-13)14-6-4-5-7-15(14)21-17(18)19/h4-7,12-13,16-17,20H,3,8-11H2,1-2H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine?
N-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 297.39 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 104988207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).