2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine

C17H25ClFNO — CID 107885231

IUPAC2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine
SMILESCCOC1(C(N)Cc2ccc(Cl)c(F)c2)CCC(C)CC1
InChIInChI=1S/C17H25ClFNO/c1-3-21-17(8-6-12(2)7-9-17)16(20)11-13-4-5-14(18)15(19)10-13/h4-5,10,12,16H,3,6-9,11,20H2,1-2H3
InChIKeyWSWRMLNEVKAFOL-UHFFFAOYSA-N
MW313.84 g/mol
LogP4.33
Rot. Bonds5

About 2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine

2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine (PubChem CID 107885231) has the molecular formula C17H25ClFNO and a molecular weight of 313.84 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine
PubChem CID107885231
Molecular FormulaC17H25ClFNO
Molecular Weight313.84 g/mol
Exact Mass313.16
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine
SMILESCCOC1(C(N)Cc2ccc(Cl)c(F)c2)CCC(C)CC1
InChIInChI=1S/C17H25ClFNO/c1-3-21-17(8-6-12(2)7-9-17)16(20)11-13-4-5-14(18)15(19)10-13/h4-5,10,12,16H,3,6-9,11,20H2,1-2H3
InChIKeyWSWRMLNEVKAFOL-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

2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 103040524
2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 107885160
2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine
CID 116765394
(2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine
CID 105395547
2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768047
1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine
CID 116766935
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 102619404
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanamine
CID 116761667
1-[(4-chloro-3-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 114012591
3-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine
CID 116767017
2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine
CID 116766889
(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine
CID 116766963

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine (CID 107885231) is 2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine is CCOC1(C(N)Cc2ccc(Cl)c(F)c2)CCC(C)CC1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine?
The InChIKey is WSWRMLNEVKAFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFNO/c1-3-21-17(8-6-12(2)7-9-17)16(20)11-13-4-5-14(18)15(19)10-13/h4-5,10,12,16H,3,6-9,11,20H2,1-2H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine?
2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-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-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine is sourced from PubChem (CID 107885231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).