3-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine

C17H18ClF2N — CID 102859054

IUPAC3-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1cccc(Cl)c1F)c1ccc(F)cc1
InChIInChI=1S/C17H18ClF2N/c1-2-21-11-14(12-6-8-15(19)9-7-12)10-13-4-3-5-16(18)17(13)20/h3-9,14,21H,2,10-11H2,1H3
InChIKeyNEFLPVGQKORGCI-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.55
Rot. Bonds6

About 3-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine

3-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine (PubChem CID 102859054) has the molecular formula C17H18ClF2N and a molecular weight of 309.79 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
PubChem CID102859054
Molecular FormulaC17H18ClF2N
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name3-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1cccc(Cl)c1F)c1ccc(F)cc1
InChIInChI=1S/C17H18ClF2N/c1-2-21-11-14(12-6-8-15(19)9-7-12)10-13-4-3-5-16(18)17(13)20/h3-9,14,21H,2,10-11H2,1H3
InChIKeyNEFLPVGQKORGCI-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-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79432828
3-(2-chlorophenyl)-2-(4-fluorophenyl)-N-propylpropan-1-amine
CID 79432134
3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79435732
2-[(3-chloro-2-fluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 102858672
3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79441774
2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine
CID 114933720
3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 65429482
2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine
CID 79433435
N-ethyl-3-(4-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 79436688
N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 79442006
3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 79441626
3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 103049753

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine (CID 102859054) is 3-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine is CCNCC(Cc1cccc(Cl)c1F)c1ccc(F)cc1.
What is the InChIKey of 3-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine?
The InChIKey is NEFLPVGQKORGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N/c1-2-21-11-14(12-6-8-15(19)9-7-12)10-13-4-3-5-16(18)17(13)20/h3-9,14,21H,2,10-11H2,1H3.
What are the key properties of 3-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine?
3-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-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 3-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 102859054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).