1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine

C17H19ClFN — CID 63420154

IUPAC1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H19ClFN/c1-3-20-17(10-13-6-4-5-12(2)9-13)15-8-7-14(19)11-16(15)18/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyGLDYVJMSGPFQOL-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.68
Rot. Bonds5

About 1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine

1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine (PubChem CID 63420154) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
PubChem CID63420154
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H19ClFN/c1-3-20-17(10-13-6-4-5-12(2)9-13)15-8-7-14(19)11-16(15)18/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyGLDYVJMSGPFQOL-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857271
2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 63412552
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43562110
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 105394689
1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 106858425
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 115983747
1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 63417255
1-(2,5-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43492963
N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990255
N-ethyl-1-(2-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 55025976
2-(2-chloro-6-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857068
1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 80531226

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine (CID 63420154) is 1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine is CCNC(Cc1cccc(C)c1)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine?
The InChIKey is GLDYVJMSGPFQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-3-20-17(10-13-6-4-5-12(2)9-13)15-8-7-14(19)11-16(15)18/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine?
1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine has a molecular weight of 291.80 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 63420154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).