2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline

C15H14ClF2NO — CID 83088365

IUPAC2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline
SMILESFc1cc(F)c(NCCCOc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H14ClF2NO/c16-13-9-11(17)10-14(18)15(13)19-7-4-8-20-12-5-2-1-3-6-12/h1-3,5-6,9-10,19H,4,7-8H2
InChIKeyARZPZELQBUVGQA-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.50
Rot. Bonds6

About 2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline

2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline (PubChem CID 83088365) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline
PubChem CID83088365
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline
SMILESFc1cc(F)c(NCCCOc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H14ClF2NO/c16-13-9-11(17)10-14(18)15(13)19-7-4-8-20-12-5-2-1-3-6-12/h1-3,5-6,9-10,19H,4,7-8H2
InChIKeyARZPZELQBUVGQA-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-chloro-4-fluoro-N-(2-phenoxyethyl)aniline
CID 107611223
2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 83073516
2,6-difluoro-N-(3-phenoxypropyl)aniline
CID 62937465
4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline
CID 63487856
3-chloro-4-fluoro-N-(4-phenoxybutyl)aniline
CID 82095796
3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline
CID 39365277
2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline
CID 83081590
N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine
CID 130589041
3-chloro-4-methyl-N-(3-phenoxypropyl)aniline
CID 63489969
6-(2-chloro-4,6-difluoroanilino)hexanoic acid
CID 83082133
2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline
CID 82889250
2,6-dichloro-4-nitro-N-(2-phenoxyethyl)aniline
CID 106891512

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline?
The IUPAC name of 2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline (CID 83088365) is 2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline.
What is the SMILES notation for 2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline?
The canonical SMILES for 2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline is Fc1cc(F)c(NCCCOc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline?
The InChIKey is ARZPZELQBUVGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c16-13-9-11(17)10-14(18)15(13)19-7-4-8-20-12-5-2-1-3-6-12/h1-3,5-6,9-10,19H,4,7-8H2.
What are the key properties of 2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline?
2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline has a molecular weight of 297.73 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline is sourced from PubChem (CID 83088365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).