1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine

C17H19ClFN — CID 82783028

IUPAC1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2ccc(F)cc2C)cc1Cl
InChIInChI=1S/C17H19ClFN/c1-4-20-12(3)16-7-5-13(10-17(16)18)15-8-6-14(19)9-11(15)2/h5-10,12,20H,4H2,1-3H3
InChIKeySCWAFXDEJHJLAO-UHFFFAOYSA-N
MW291.80 g/mol
LogP5.13
Rot. Bonds4

About 1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine

1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine (PubChem CID 82783028) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine
PubChem CID82783028
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2ccc(F)cc2C)cc1Cl
InChIInChI=1S/C17H19ClFN/c1-4-20-12(3)16-7-5-13(10-17(16)18)15-8-6-14(19)9-11(15)2/h5-10,12,20H,4H2,1-3H3
InChIKeySCWAFXDEJHJLAO-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.80
LogP ≤ 55.13
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
1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine
CID 82783500
N-[1-[2-chloro-4-(2,4-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82772125
1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine
CID 82772280
1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982237
1-(2-chloro-4-phenylphenyl)-N-ethylethanamine
CID 82782215
3-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]-5-fluorobenzonitrile
CID 82772148
1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine
CID 82782672
N-[(4-fluoro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 63412127
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine
CID 81045762
N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82771991

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine (CID 82783028) is 1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(-c2ccc(F)cc2C)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine?
The InChIKey is SCWAFXDEJHJLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-4-20-12(3)16-7-5-13(10-17(16)18)15-8-6-14(19)9-11(15)2/h5-10,12,20H,4H2,1-3H3.
What are the key properties of 1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine?
1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine has a molecular weight of 291.80 g/mol, XLogP of 5.13, 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-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 82783028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).