N-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline

C15H14ClF2N — CID 63452522

IUPACN-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline
SMILESCCC(Nc1cccc(F)c1F)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClF2N/c1-2-13(10-5-3-6-11(16)9-10)19-14-8-4-7-12(17)15(14)18/h3-9,13,19H,2H2,1H3
InChIKeyNINBFENIXVXGKV-UHFFFAOYSA-N
MW281.73 g/mol
LogP5.18
Rot. Bonds4

About N-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline

N-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline (PubChem CID 63452522) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline
PubChem CID63452522
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC NameN-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline
SMILESCCC(Nc1cccc(F)c1F)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClF2N/c1-2-13(10-5-3-6-11(16)9-10)19-14-8-4-7-12(17)15(14)18/h3-9,13,19H,2H2,1H3
InChIKeyNINBFENIXVXGKV-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.73
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-2,3-dimethylaniline
CID 43097470
N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline
CID 43109420
5-chloro-2-fluoro-N-(1-phenylpropyl)aniline
CID 43381923
1-(3-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 43674019
N-[1-(3-chlorophenyl)propyl]-2,4-dimethylaniline
CID 43108475
N-[1-(3-chlorophenyl)propyl]-2-(ethoxymethyl)aniline
CID 43750406
2-bromo-N-[1-(3-chlorophenyl)propyl]-4-methylaniline
CID 43107792
4-chloro-2-[1-(3-fluorophenyl)propylamino]benzonitrile
CID 114871222
4-bromo-N-[1-(3-chlorophenyl)propyl]aniline
CID 43101702
2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline
CID 61076983
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline (CID 63452522) is N-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline is CCC(Nc1cccc(F)c1F)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline?
The InChIKey is NINBFENIXVXGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-2-13(10-5-3-6-11(16)9-10)19-14-8-4-7-12(17)15(14)18/h3-9,13,19H,2H2,1H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline?
N-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline has a molecular weight of 281.73 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline is sourced from PubChem (CID 63452522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).