1-N-(2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine

C15H16ClFN2O — CID 63592569

IUPAC1-N-(2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine
SMILESCCCOc1cc(Nc2ccccc2Cl)c(N)cc1F
InChIInChI=1S/C15H16ClFN2O/c1-2-7-20-15-9-14(12(18)8-11(15)17)19-13-6-4-3-5-10(13)16/h3-6,8-9,19H,2,7,18H2,1H3
InChIKeyOGRJDWKSIUVLPB-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.59
Rot. Bonds5

About 1-N-(2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine

1-N-(2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine (PubChem CID 63592569) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 1-N-(2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine
PubChem CID63592569
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name1-N-(2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine
SMILESCCCOc1cc(Nc2ccccc2Cl)c(N)cc1F
InChIInChI=1S/C15H16ClFN2O/c1-2-7-20-15-9-14(12(18)8-11(15)17)19-13-6-4-3-5-10(13)16/h3-6,8-9,19H,2,7,18H2,1H3
InChIKeyOGRJDWKSIUVLPB-UHFFFAOYSA-N
XLogP4.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-bromo-2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 63593287
1-N-(3-bromo-2-methylphenyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 107633706
2-N-(2-bromo-3-chlorophenyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 103477452
1-N-(3-bromophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 63592218
4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine
CID 63592209
4-(2-amino-5-ethoxy-4-fluoroanilino)-3-chlorobenzonitrile
CID 107807032
4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine
CID 63599048
4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine
CID 63592455
2-N-(4-bromo-2,3-dichlorophenyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 107786999
2-N-(3-chloro-2-methylphenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 63593804
5-fluoro-2-(2-methylsulfanylphenoxy)-4-propoxyaniline
CID 63647609
4-fluoro-1-N-(4-methylpiperazin-1-yl)-5-propoxybenzene-1,2-diamine
CID 83005171

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine?
The IUPAC name of 1-N-(2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine (CID 63592569) is 1-N-(2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine is CCCOc1cc(Nc2ccccc2Cl)c(N)cc1F.
What is the InChIKey of 1-N-(2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine?
The InChIKey is OGRJDWKSIUVLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-2-7-20-15-9-14(12(18)8-11(15)17)19-13-6-4-3-5-10(13)16/h3-6,8-9,19H,2,7,18H2,1H3.
What are the key properties of 1-N-(2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine?
1-N-(2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine has a molecular weight of 294.76 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine is sourced from PubChem (CID 63592569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).