5-chloro-2-fluoro-N-(1-phenylpropyl)aniline

C15H15ClFN — CID 43381923

IUPAC5-chloro-2-fluoro-N-(1-phenylpropyl)aniline
SMILESCCC(Nc1cc(Cl)ccc1F)c1ccccc1
InChIInChI=1S/C15H15ClFN/c1-2-14(11-6-4-3-5-7-11)18-15-10-12(16)8-9-13(15)17/h3-10,14,18H,2H2,1H3
InChIKeyUPJSUKCUMDSZOP-UHFFFAOYSA-N
MW263.74 g/mol
LogP5.04
Rot. Bonds4

About 5-chloro-2-fluoro-N-(1-phenylpropyl)aniline

5-chloro-2-fluoro-N-(1-phenylpropyl)aniline (PubChem CID 43381923) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(1-phenylpropyl)aniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(1-phenylpropyl)aniline
PubChem CID43381923
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name5-chloro-2-fluoro-N-(1-phenylpropyl)aniline
SMILESCCC(Nc1cc(Cl)ccc1F)c1ccccc1
InChIInChI=1S/C15H15ClFN/c1-2-14(11-6-4-3-5-7-11)18-15-10-12(16)8-9-13(15)17/h3-10,14,18H,2H2,1H3
InChIKeyUPJSUKCUMDSZOP-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.74
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline
CID 63476825
5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454
2-fluoro-4-methyl-N-(1-phenylpropyl)aniline
CID 43114235
2-chloro-N-(1-phenylpropyl)aniline
CID 43105652
N-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline
CID 63452522
2,6-dichloro-4-fluoro-N-(1-phenylpropyl)aniline
CID 83078056
2-chloro-4,6-difluoro-N-(1-phenylpropyl)aniline
CID 83082045
2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline
CID 43098482
4-fluoro-3-methyl-N-(1-phenylpropyl)aniline
CID 62809853
2,5-dichloro-N-(1-phenylpentyl)aniline
CID 43757186
4-chloro-2-[1-(3-fluorophenyl)propylamino]benzonitrile
CID 114871222
2,5-difluoro-N-(3-methyl-1-phenylbutyl)aniline
CID 43108541

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(1-phenylpropyl)aniline?
The IUPAC name of 5-chloro-2-fluoro-N-(1-phenylpropyl)aniline (CID 43381923) is 5-chloro-2-fluoro-N-(1-phenylpropyl)aniline.
What is the SMILES notation for 5-chloro-2-fluoro-N-(1-phenylpropyl)aniline?
The canonical SMILES for 5-chloro-2-fluoro-N-(1-phenylpropyl)aniline is CCC(Nc1cc(Cl)ccc1F)c1ccccc1.
What is the InChIKey of 5-chloro-2-fluoro-N-(1-phenylpropyl)aniline?
The InChIKey is UPJSUKCUMDSZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-2-14(11-6-4-3-5-7-11)18-15-10-12(16)8-9-13(15)17/h3-10,14,18H,2H2,1H3.
What are the key properties of 5-chloro-2-fluoro-N-(1-phenylpropyl)aniline?
5-chloro-2-fluoro-N-(1-phenylpropyl)aniline has a molecular weight of 263.74 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(1-phenylpropyl)aniline is sourced from PubChem (CID 43381923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).