1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine

C16H16ClF2N — CID 82783500

IUPAC1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C16H16ClF2N/c1-3-20-10(2)13-6-4-11(8-15(13)17)14-7-5-12(18)9-16(14)19/h4-10,20H,3H2,1-2H3
InChIKeyANCDTAQPDAEEFC-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.96
Rot. Bonds4

About 1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine

1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine (PubChem CID 82783500) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is 1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine
PubChem CID82783500
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C16H16ClF2N/c1-3-20-10(2)13-6-4-11(8-15(13)17)14-7-5-12(18)9-16(14)19/h4-10,20H,3H2,1-2H3
InChIKeyANCDTAQPDAEEFC-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 82782480
N-[1-[2-chloro-4-(2,4-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82772125
1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine
CID 82783028
1-(2-chloro-4-phenylphenyl)-N-ethylethanamine
CID 82782215
1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine
CID 82772280
3-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]-5-fluorobenzonitrile
CID 82772148
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
N-[1-[2-chloro-4-(2,3-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82772141
N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82771991
1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982237
1-[4-(2-chloro-4,5-difluorophenyl)phenyl]-N-ethylethanamine
CID 107476887
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine (CID 82783500) is 1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(-c2ccc(F)cc2F)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine?
The InChIKey is ANCDTAQPDAEEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-3-20-10(2)13-6-4-11(8-15(13)17)14-7-5-12(18)9-16(14)19/h4-10,20H,3H2,1-2H3.
What are the key properties of 1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine?
1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine has a molecular weight of 295.76 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 82783500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).