1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine

C17H19ClFNO — CID 61066458

IUPAC1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1)c1c(F)cccc1Cl
InChIInChI=1S/C17H19ClFNO/c1-3-20-16(17-14(18)8-5-9-15(17)19)11-12-6-4-7-13(10-12)21-2/h4-10,16,20H,3,11H2,1-2H3
InChIKeyFOOGPJZHXNSGAG-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.38
Rot. Bonds6

About 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine

1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine (PubChem CID 61066458) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
PubChem CID61066458
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1)c1c(F)cccc1Cl
InChIInChI=1S/C17H19ClFNO/c1-3-20-16(17-14(18)8-5-9-15(17)19)11-12-6-4-7-13(10-12)21-2/h4-10,16,20H,3,11H2,1-2H3
InChIKeyFOOGPJZHXNSGAG-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)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

[1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105295289
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 64714865
1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 61063803
2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 103040265
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 63527751
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43562110
1-(2,6-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63527991
1-(2-chloro-6-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839919
N-[1-(2-chloro-6-fluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63528128
1-(3-chloro-5-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 81316183
1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066046
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 107945442

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine (CID 61066458) is 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine is CCNC(Cc1cccc(OC)c1)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The InChIKey is FOOGPJZHXNSGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-3-20-16(17-14(18)8-5-9-15(17)19)11-12-6-4-7-13(10-12)21-2/h4-10,16,20H,3,11H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine has a molecular weight of 307.80 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 61066458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).