N-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine

C17H25F2NO — CID 104992083

IUPACN-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC(F)F)cc1)C1CCCC(C)C1
InChIInChI=1S/C17H25F2NO/c1-3-20-16(14-6-4-5-12(2)11-14)13-7-9-15(10-8-13)21-17(18)19/h7-10,12,14,16-17,20H,3-6,11H2,1-2H3
InChIKeyGZZWAYAKFOSALH-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.76
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine

N-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine (PubChem CID 104992083) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine
PubChem CID104992083
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC NameN-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC(F)F)cc1)C1CCCC(C)C1
InChIInChI=1S/C17H25F2NO/c1-3-20-16(14-6-4-5-12(2)11-14)13-7-9-15(10-8-13)21-17(18)19/h7-10,12,14,16-17,20H,3-6,11H2,1-2H3
InChIKeyGZZWAYAKFOSALH-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-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114519344
N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 55187004
N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 116506045
N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492157
N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 63508835
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43082013
N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 65313720
[[3-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]hydrazine
CID 105313509
N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 114981675
N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 82822378
N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544173
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine (CID 104992083) is N-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine is CCNC(c1ccc(OC(F)F)cc1)C1CCCC(C)C1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine?
The InChIKey is GZZWAYAKFOSALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-3-20-16(14-6-4-5-12(2)11-14)13-7-9-15(10-8-13)21-17(18)19/h7-10,12,14,16-17,20H,3-6,11H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine?
N-[[4-(difluoromethoxy)phenyl]-(3-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-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 104992083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).