1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine

C17H18Cl2FN — CID 63411998

IUPAC1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1cccc(Cl)c1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C17H18Cl2FN/c1-2-21-16(9-12-4-3-5-14(18)8-12)10-13-6-7-15(20)11-17(13)19/h3-8,11,16,21H,2,9-10H2,1H3
InChIKeyVXOCZDNBGSPDCJ-UHFFFAOYSA-N
MW326.24 g/mol
LogP4.90
Rot. Bonds6

About 1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine

1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine (PubChem CID 63411998) has the molecular formula C17H18Cl2FN and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
PubChem CID63411998
Molecular FormulaC17H18Cl2FN
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1cccc(Cl)c1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C17H18Cl2FN/c1-2-21-16(9-12-4-3-5-14(18)8-12)10-13-6-7-15(20)11-17(13)19/h3-8,11,16,21H,2,9-10H2,1H3
InChIKeyVXOCZDNBGSPDCJ-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 62600122
1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 60819525
1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373667
[1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)propan-2-yl]hydrazine
CID 105194827
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 103048515
1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
CID 62602369
1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 60819352
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 105394689
1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347786
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 107884568
2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
CID 63496703
1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine
CID 61392785

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine (CID 63411998) is 1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine is CCNC(Cc1cccc(Cl)c1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine?
The InChIKey is VXOCZDNBGSPDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN/c1-2-21-16(9-12-4-3-5-14(18)8-12)10-13-6-7-15(20)11-17(13)19/h3-8,11,16,21H,2,9-10H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine?
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine has a molecular weight of 326.24 g/mol, XLogP of 4.90, 6 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)-3-(3-chlorophenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 63411998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).