2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine

C17H25ClFNO — CID 116763206

IUPAC2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1Cl)C1(OC)CCCCC1
InChIInChI=1S/C17H25ClFNO/c1-3-20-16(17(21-2)9-5-4-6-10-17)11-13-7-8-14(19)12-15(13)18/h7-8,12,16,20H,3-6,9-11H2,1-2H3
InChIKeyGDKYAUDITMFFTB-UHFFFAOYSA-N
MW313.84 g/mol
LogP4.35
Rot. Bonds6

About 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine

2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine (PubChem CID 116763206) has the molecular formula C17H25ClFNO and a molecular weight of 313.84 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
PubChem CID116763206
Molecular FormulaC17H25ClFNO
Molecular Weight313.84 g/mol
Exact Mass313.16
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1Cl)C1(OC)CCCCC1
InChIInChI=1S/C17H25ClFNO/c1-3-20-16(17(21-2)9-5-4-6-10-17)11-13-7-8-14(19)12-15(13)18/h7-8,12,16,20H,3-6,9-11H2,1-2H3
InChIKeyGDKYAUDITMFFTB-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.84
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764982
[2-(2-chloro-4-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 105278127
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
CID 114856992
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 103049169
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 116763203
2-(2-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 116714000
2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770042
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714589
N-[2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclopentyl)ethyl]propan-1-amine
CID 105374330
2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 114932716
N-[2-(2-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763369
[2-(2-chloro-4-methylphenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 106871506

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine (CID 116763206) is 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine is CCNC(Cc1ccc(F)cc1Cl)C1(OC)CCCCC1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine?
The InChIKey is GDKYAUDITMFFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFNO/c1-3-20-16(17(21-2)9-5-4-6-10-17)11-13-7-8-14(19)12-15(13)18/h7-8,12,16,20H,3-6,9-11H2,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine?
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine has a molecular weight of 313.84 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine is sourced from PubChem (CID 116763206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).