3-N-(2-fluoro-5-methoxyphenyl)-5-propoxybenzene-1,3-diamine

C16H19FN2O2 — CID 80742705

IUPAC3-N-(2-fluoro-5-methoxyphenyl)-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(Nc2cc(OC)ccc2F)c1
InChIInChI=1S/C16H19FN2O2/c1-3-6-21-14-8-11(18)7-12(9-14)19-16-10-13(20-2)4-5-15(16)17/h4-5,7-10,19H,3,6,18H2,1-2H3
InChIKeyKQHCCEONQKPYAS-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.95
Rot. Bonds6

About 3-N-(2-fluoro-5-methoxyphenyl)-5-propoxybenzene-1,3-diamine

3-N-(2-fluoro-5-methoxyphenyl)-5-propoxybenzene-1,3-diamine (PubChem CID 80742705) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-N-(2-fluoro-5-methoxyphenyl)-5-propoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-fluoro-5-methoxyphenyl)-5-propoxybenzene-1,3-diamine
PubChem CID80742705
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name3-N-(2-fluoro-5-methoxyphenyl)-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(Nc2cc(OC)ccc2F)c1
InChIInChI=1S/C16H19FN2O2/c1-3-6-21-14-8-11(18)7-12(9-14)19-16-10-13(20-2)4-5-15(16)17/h4-5,7-10,19H,3,6,18H2,1-2H3
InChIKeyKQHCCEONQKPYAS-UHFFFAOYSA-N
XLogP3.95
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-(5-chloro-2-fluorophenyl)-5-propoxybenzene-1,3-diamine
CID 80721719
3-N-(5-chloro-2-methoxyphenyl)-5-propoxybenzene-1,3-diamine
CID 80725424
2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80839761
3-N-(2-bromophenyl)-5-propoxybenzene-1,3-diamine
CID 80723449
3-N-(3,5-dimethylphenyl)-5-propoxybenzene-1,3-diamine
CID 80722258
3-N-(3,5-dichloro-4-fluorophenyl)-5-propoxybenzene-1,3-diamine
CID 107571590
3-N-[(3,4-difluorophenyl)methyl]-5-propoxybenzene-1,3-diamine
CID 80738657
3-N-(2-chloro-4-methylphenyl)-5-propoxybenzene-1,3-diamine
CID 80721829
3-N-(2-bromo-6-fluorophenyl)-5-propoxybenzene-1,3-diamine
CID 107596767
3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine
CID 80721832
3-N-(3-methylphenyl)-5-propoxybenzene-1,3-diamine
CID 80722261
3-N-(3,4-difluorophenyl)-5-methoxybenzene-1,3-diamine
CID 80722910

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-fluoro-5-methoxyphenyl)-5-propoxybenzene-1,3-diamine?
The IUPAC name of 3-N-(2-fluoro-5-methoxyphenyl)-5-propoxybenzene-1,3-diamine (CID 80742705) is 3-N-(2-fluoro-5-methoxyphenyl)-5-propoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-fluoro-5-methoxyphenyl)-5-propoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-fluoro-5-methoxyphenyl)-5-propoxybenzene-1,3-diamine is CCCOc1cc(N)cc(Nc2cc(OC)ccc2F)c1.
What is the InChIKey of 3-N-(2-fluoro-5-methoxyphenyl)-5-propoxybenzene-1,3-diamine?
The InChIKey is KQHCCEONQKPYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-3-6-21-14-8-11(18)7-12(9-14)19-16-10-13(20-2)4-5-15(16)17/h4-5,7-10,19H,3,6,18H2,1-2H3.
What are the key properties of 3-N-(2-fluoro-5-methoxyphenyl)-5-propoxybenzene-1,3-diamine?
3-N-(2-fluoro-5-methoxyphenyl)-5-propoxybenzene-1,3-diamine has a molecular weight of 290.34 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-fluoro-5-methoxyphenyl)-5-propoxybenzene-1,3-diamine is sourced from PubChem (CID 80742705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).