2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine

C17H25ClFNO — CID 102619404

IUPAC2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
SMILESCCOC1(C(N)Cc2cc(F)ccc2Cl)CCCC(C)C1
InChIInChI=1S/C17H25ClFNO/c1-3-21-17(8-4-5-12(2)11-17)16(20)10-13-9-14(19)6-7-15(13)18/h6-7,9,12,16H,3-5,8,10-11,20H2,1-2H3
InChIKeyHNLYLRHRTJAZSR-UHFFFAOYSA-N
MW313.84 g/mol
LogP4.33
Rot. Bonds5

About 2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine

2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine (PubChem CID 102619404) has the molecular formula C17H25ClFNO and a molecular weight of 313.84 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
PubChem CID102619404
Molecular FormulaC17H25ClFNO
Molecular Weight313.84 g/mol
Exact Mass313.16
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
SMILESCCOC1(C(N)Cc2cc(F)ccc2Cl)CCCC(C)C1
InChIInChI=1S/C17H25ClFNO/c1-3-21-17(8-4-5-12(2)11-17)16(20)10-13-9-14(19)6-7-15(13)18/h6-7,9,12,16H,3-5,8,10-11,20H2,1-2H3
InChIKeyHNLYLRHRTJAZSR-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.84
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348409
2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768047
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 105374421
(2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768109
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 102618286
1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine
CID 116768003
(2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine
CID 105395547
1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 102617497
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol
CID 116755215
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
2-(2-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 116714000
2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767463

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine (CID 102619404) is 2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine is CCOC1(C(N)Cc2cc(F)ccc2Cl)CCCC(C)C1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine?
The InChIKey is HNLYLRHRTJAZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFNO/c1-3-21-17(8-4-5-12(2)11-17)16(20)10-13-9-14(19)6-7-15(13)18/h6-7,9,12,16H,3-5,8,10-11,20H2,1-2H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine?
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine has a molecular weight of 313.84 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 102619404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).