(1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine

C18H28FNO — CID 116768560

IUPAC(1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCCOC1(C(N)c2cc(F)ccc2C)CCC(C)(C)CC1
InChIInChI=1S/C18H28FNO/c1-5-21-18(10-8-17(3,4)9-11-18)16(20)15-12-14(19)7-6-13(15)2/h6-7,12,16H,5,8-11,20H2,1-4H3
InChIKeyAJSAUGGGLHADOS-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.51
Rot. Bonds4

About (1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine

(1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine (PubChem CID 116768560) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is (1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine
PubChem CID116768560
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name(1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCCOC1(C(N)c2cc(F)ccc2C)CCC(C)(C)CC1
InChIInChI=1S/C18H28FNO/c1-5-21-18(10-8-17(3,4)9-11-18)16(20)15-12-14(19)7-6-13(15)2/h6-7,12,16H,5,8-11,20H2,1-4H3
InChIKeyAJSAUGGGLHADOS-UHFFFAOYSA-N
XLogP4.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 116713879
(2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine
CID 105395547
(2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine
CID 116768668
(2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine
CID 116765464
(5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755728
[(5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277963
(1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol
CID 116755399
(2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768109
(1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102755265
(1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine
CID 116770564
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348409
1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373590

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine (CID 116768560) is (1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine is CCOC1(C(N)c2cc(F)ccc2C)CCC(C)(C)CC1.
What is the InChIKey of (1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine?
The InChIKey is AJSAUGGGLHADOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-5-21-18(10-8-17(3,4)9-11-18)16(20)15-12-14(19)7-6-13(15)2/h6-7,12,16H,5,8-11,20H2,1-4H3.
What are the key properties of (1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine?
(1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine has a molecular weight of 293.43 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 116768560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).