(2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine

C17H25F2NO — CID 116768668

IUPAC(2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine
SMILESCCOC1(C(N)c2c(F)cccc2F)CCC(C)(C)CC1
InChIInChI=1S/C17H25F2NO/c1-4-21-17(10-8-16(2,3)9-11-17)15(20)14-12(18)6-5-7-13(14)19/h5-7,15H,4,8-11,20H2,1-3H3
InChIKeyPBWAMIVYRGLWFB-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.34
Rot. Bonds4

About (2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine

(2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine (PubChem CID 116768668) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine
PubChem CID116768668
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name(2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine
SMILESCCOC1(C(N)c2c(F)cccc2F)CCC(C)(C)CC1
InChIInChI=1S/C17H25F2NO/c1-4-21-17(10-8-16(2,3)9-11-17)15(20)14-12(18)6-5-7-13(14)19/h5-7,15H,4,8-11,20H2,1-3H3
InChIKeyPBWAMIVYRGLWFB-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine
CID 116768560
(2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine
CID 116810819
(1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine
CID 104932113
2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 114932736
1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 116769457
(2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine
CID 116765464
3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine
CID 116768695
1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768316
[(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277877
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine
CID 116768604
(2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine
CID 105395547
(5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
CID 116761622

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine?
The IUPAC name of (2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine (CID 116768668) is (2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine?
The canonical SMILES for (2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine is CCOC1(C(N)c2c(F)cccc2F)CCC(C)(C)CC1.
What is the InChIKey of (2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine?
The InChIKey is PBWAMIVYRGLWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-4-21-17(10-8-16(2,3)9-11-17)15(20)14-12(18)6-5-7-13(14)19/h5-7,15H,4,8-11,20H2,1-3H3.
What are the key properties of (2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine?
(2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine has a molecular weight of 297.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 116768668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).