1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine

C18H28FNO — CID 114348409

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCOC1(C(N)Cc2ccc(F)cc2C)CCCC(C)C1
InChIInChI=1S/C18H28FNO/c1-4-21-18(9-5-6-13(2)12-18)17(20)11-15-7-8-16(19)10-14(15)3/h7-8,10,13,17H,4-6,9,11-12,20H2,1-3H3
InChIKeyMCAOYVZJBXDJSO-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.99
Rot. Bonds5

About 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine

1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 114348409) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID114348409
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCOC1(C(N)Cc2ccc(F)cc2C)CCCC(C)C1
InChIInChI=1S/C18H28FNO/c1-4-21-18(9-5-6-13(2)12-18)17(20)11-15-7-8-16(19)10-14(15)3/h7-8,10,13,17H,4-6,9,11-12,20H2,1-3H3
InChIKeyMCAOYVZJBXDJSO-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 102619404
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 105374421
(2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768109
[2-(4-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
CID 105277596
1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine
CID 116768003
2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768047
2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761603
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol
CID 116755215
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
1-(1-ethoxycyclohexyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348398
2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768183
1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 116768070

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine (CID 114348409) is 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine is CCOC1(C(N)Cc2ccc(F)cc2C)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is MCAOYVZJBXDJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-4-21-18(9-5-6-13(2)12-18)17(20)11-15-7-8-16(19)10-14(15)3/h7-8,10,13,17H,4-6,9,11-12,20H2,1-3H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 293.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 114348409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).