2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine

C17H25F2NO — CID 114932736

IUPAC2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
SMILESCOC1(C(N)Cc2c(F)cccc2F)CCC(C)(C)CC1
InChIInChI=1S/C17H25F2NO/c1-16(2)7-9-17(21-3,10-8-16)15(20)11-12-13(18)5-4-6-14(12)19/h4-6,15H,7-11,20H2,1-3H3
InChIKeySKYCIIRQPPYCFO-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.82
Rot. Bonds4

About 2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine

2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine (PubChem CID 114932736) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
PubChem CID114932736
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
SMILESCOC1(C(N)Cc2c(F)cccc2F)CCC(C)(C)CC1
InChIInChI=1S/C17H25F2NO/c1-16(2)7-9-17(21-3,10-8-16)15(20)11-12-13(18)5-4-6-14(12)19/h4-6,15H,7-11,20H2,1-3H3
InChIKeySKYCIIRQPPYCFO-UHFFFAOYSA-N
XLogP3.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769029
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 106268473
2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764439
2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769197
2-(5-chlorothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769036
1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 116769457
1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
CID 116768960
2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 114931718
(2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine
CID 116768668
2-(2-fluoro-3-methoxyphenyl)-1-(1-methoxycyclopentyl)ethanamine
CID 104794288
2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764410
N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769648

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine (CID 114932736) is 2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine is COC1(C(N)Cc2c(F)cccc2F)CCC(C)(C)CC1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The InChIKey is SKYCIIRQPPYCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-16(2)7-9-17(21-3,10-8-16)15(20)11-12-13(18)5-4-6-14(12)19/h4-6,15H,7-11,20H2,1-3H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine has a molecular weight of 297.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 114932736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).