(2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine

C16H23ClFNO — CID 105395547

IUPAC(2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine
SMILESCCOC1(C(N)c2cc(F)ccc2Cl)CCC(C)CC1
InChIInChI=1S/C16H23ClFNO/c1-3-20-16(8-6-11(2)7-9-16)15(19)13-10-12(18)4-5-14(13)17/h4-5,10-11,15H,3,6-9,19H2,1-2H3
InChIKeyCUJQAOJNSJRJFR-UHFFFAOYSA-N
MW299.82 g/mol
LogP4.46
Rot. Bonds4

About (2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine

(2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine (PubChem CID 105395547) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine
PubChem CID105395547
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC Name(2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine
SMILESCCOC1(C(N)c2cc(F)ccc2Cl)CCC(C)CC1
InChIInChI=1S/C16H23ClFNO/c1-3-20-16(8-6-11(2)7-9-16)15(19)13-10-12(18)4-5-14(13)17/h4-5,10-11,15H,3,6-9,19H2,1-2H3
InChIKeyCUJQAOJNSJRJFR-UHFFFAOYSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 54.46
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-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine
CID 107885231
(2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768109
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 102619404
(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine
CID 116766963
[(2-chloro-5-fluorophenyl)-(1-ethoxycyclopentyl)methyl]hydrazine
CID 105397987
(2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine
CID 116765464
(2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 105394608
(1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol
CID 116754846
1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373590
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol
CID 116754724
1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine
CID 105394080

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine?
The IUPAC name of (2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine (CID 105395547) is (2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine is CCOC1(C(N)c2cc(F)ccc2Cl)CCC(C)CC1.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine?
The InChIKey is CUJQAOJNSJRJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-3-20-16(8-6-11(2)7-9-16)15(19)13-10-12(18)4-5-14(13)17/h4-5,10-11,15H,3,6-9,19H2,1-2H3.
What are the key properties of (2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine?
(2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine has a molecular weight of 299.82 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine is sourced from PubChem (CID 105395547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).