1-[4-(difluoromethoxy)phenyl]-1-(4-ethylcyclohexyl)-N-methylmethanamine

C17H25F2NO — CID 104990940

IUPAC1-[4-(difluoromethoxy)phenyl]-1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C17H25F2NO/c1-3-12-4-6-13(7-5-12)16(20-2)14-8-10-15(11-9-14)21-17(18)19/h8-13,16-17,20H,3-7H2,1-2H3
InChIKeyWNOMVRKXFOWXIL-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.76
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-1-(4-ethylcyclohexyl)-N-methylmethanamine

1-[4-(difluoromethoxy)phenyl]-1-(4-ethylcyclohexyl)-N-methylmethanamine (PubChem CID 104990940) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-1-(4-ethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-1-(4-ethylcyclohexyl)-N-methylmethanamine
PubChem CID104990940
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-[4-(difluoromethoxy)phenyl]-1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C17H25F2NO/c1-3-12-4-6-13(7-5-12)16(20-2)14-8-10-15(11-9-14)21-17(18)19/h8-13,16-17,20H,3-7H2,1-2H3
InChIKeyWNOMVRKXFOWXIL-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

1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104991020
1-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65392502
[(4-cyclopropyloxyphenyl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105231410
1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 64774200
1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 65412580
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine
CID 116952347
1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65425698
1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine
CID 63451555
N-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine
CID 104992083
1-cyclobutyl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481696
N-methyl-1-(4-methylcyclohexyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 104987916

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-1-(4-ethylcyclohexyl)-N-methylmethanamine (CID 104990940) is 1-[4-(difluoromethoxy)phenyl]-1-(4-ethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-1-(4-ethylcyclohexyl)-N-methylmethanamine is CCC1CCC(C(NC)c2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The InChIKey is WNOMVRKXFOWXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-3-12-4-6-13(7-5-12)16(20-2)14-8-10-15(11-9-14)21-17(18)19/h8-13,16-17,20H,3-7H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-1-(4-ethylcyclohexyl)-N-methylmethanamine?
1-[4-(difluoromethoxy)phenyl]-1-(4-ethylcyclohexyl)-N-methylmethanamine 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 1-[4-(difluoromethoxy)phenyl]-1-(4-ethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 104990940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).