1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine

C17H26FNO — CID 81030407

IUPAC1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1c1ccc(OC)c(F)c1
InChIInChI=1S/C17H26FNO/c1-17(2)8-7-13(11-19-3)14(10-17)12-5-6-16(20-4)15(18)9-12/h5-6,9,13-14,19H,7-8,10-11H2,1-4H3
InChIKeyUIZAXYXAAWPFED-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.96
Rot. Bonds4

About 1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine

1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine (PubChem CID 81030407) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
PubChem CID81030407
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1c1ccc(OC)c(F)c1
InChIInChI=1S/C17H26FNO/c1-17(2)8-7-13(11-19-3)14(10-17)12-5-6-16(20-4)15(18)9-12/h5-6,9,13-14,19H,7-8,10-11H2,1-4H3
InChIKeyUIZAXYXAAWPFED-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81018324
N-[[2-(3,4-difluorophenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 81030415
1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine
CID 81031001
1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine
CID 81021876
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81021879
1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030403
1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 114523600
1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine
CID 79365083
1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine
CID 81030852
4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene
CID 165178047
2-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 62795099
1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81031224

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine (CID 81030407) is 1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine is CNCC1CCC(C)(C)CC1c1ccc(OC)c(F)c1.
What is the InChIKey of 1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine?
The InChIKey is UIZAXYXAAWPFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-17(2)8-7-13(11-19-3)14(10-17)12-5-6-16(20-4)15(18)9-12/h5-6,9,13-14,19H,7-8,10-11H2,1-4H3.
What are the key properties of 1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine?
1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine has a molecular weight of 279.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81030407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).