2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine

C17H18ClF2N — CID 79433435

IUPAC2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1ccc(F)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClF2N/c1-2-21-11-14(12-4-3-5-15(18)9-12)8-13-6-7-16(19)10-17(13)20/h3-7,9-10,14,21H,2,8,11H2,1H3
InChIKeyDYWAERYUWLBPHR-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.55
Rot. Bonds6

About 2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine

2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine (PubChem CID 79433435) has the molecular formula C17H18ClF2N and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine
PubChem CID79433435
Molecular FormulaC17H18ClF2N
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1ccc(F)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClF2N/c1-2-21-11-14(12-4-3-5-15(18)9-12)8-13-6-7-16(19)10-17(13)20/h3-7,9-10,14,21H,2,8,11H2,1H3
InChIKeyDYWAERYUWLBPHR-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chloro-2-fluorophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 114858835
2-(3-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114858847
3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79430105
2-(3-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79443251
3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 103049753
3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79441774
3-(4-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 81024440
N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417898
4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81027876
3-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79440147
3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine
CID 79430252
3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422309

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine (CID 79433435) is 2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine is CCNCC(Cc1ccc(F)cc1F)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine?
The InChIKey is DYWAERYUWLBPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N/c1-2-21-11-14(12-4-3-5-15(18)9-12)8-13-6-7-16(19)10-17(13)20/h3-7,9-10,14,21H,2,8,11H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine?
2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine has a molecular weight of 309.79 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 79433435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).