2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine

C17H25ClFNO — CID 116763203

IUPAC2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1Cl)C1(OC)CCCCC1
InChIInChI=1S/C17H25ClFNO/c1-3-20-15(17(21-2)10-5-4-6-11-17)12-13-8-7-9-14(19)16(13)18/h7-9,15,20H,3-6,10-12H2,1-2H3
InChIKeySKFBPECOPWWBAI-UHFFFAOYSA-N
MW313.84 g/mol
LogP4.35
Rot. Bonds6

About 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine

2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine (PubChem CID 116763203) has the molecular formula C17H25ClFNO and a molecular weight of 313.84 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
PubChem CID116763203
Molecular FormulaC17H25ClFNO
Molecular Weight313.84 g/mol
Exact Mass313.16
IUPAC Name2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1Cl)C1(OC)CCCCC1
InChIInChI=1S/C17H25ClFNO/c1-3-20-15(17(21-2)10-5-4-6-11-17)12-13-8-7-9-14(19)16(13)18/h7-9,15,20H,3-6,10-12H2,1-2H3
InChIKeySKFBPECOPWWBAI-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

Analyze 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714589
2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 114932716
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 103049169
[2-(2-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine
CID 105270220
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
CID 105032675
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
CID 105032489
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
CID 114856992
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine
CID 112653884
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 116763206
N-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766591
[2-(3-chloro-2-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 102868227
[2-(2-chloro-3-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277013

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine (CID 116763203) is 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine is CCNC(Cc1cccc(F)c1Cl)C1(OC)CCCCC1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine?
The InChIKey is SKFBPECOPWWBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFNO/c1-3-20-15(17(21-2)10-5-4-6-11-17)12-13-8-7-9-14(19)16(13)18/h7-9,15,20H,3-6,10-12H2,1-2H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine?
2-(2-chloro-3-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-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine is sourced from PubChem (CID 116763203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).