2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine

C14H15FN2O — CID 62377477

IUPAC2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
SMILESCCOc1cccc(Nc2cc(F)ccc2N)c1
InChIInChI=1S/C14H15FN2O/c1-2-18-12-5-3-4-11(9-12)17-14-8-10(15)6-7-13(14)16/h3-9,17H,2,16H2,1H3
InChIKeyMCKAMABUSIRWOJ-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.55
Rot. Bonds4

About 2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine

2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine (PubChem CID 62377477) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
PubChem CID62377477
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
SMILESCCOc1cccc(Nc2cc(F)ccc2N)c1
InChIInChI=1S/C14H15FN2O/c1-2-18-12-5-3-4-11(9-12)17-14-8-10(15)6-7-13(14)16/h3-9,17H,2,16H2,1H3
InChIKeyMCKAMABUSIRWOJ-UHFFFAOYSA-N
XLogP3.55
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.55
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

2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101863
1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine
CID 66066299
1-[3-(2-amino-5-fluoroanilino)phenyl]propan-1-one
CID 58459342
1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 29066421
2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline
CID 55060895
3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine
CID 140989971
2,6-dichloro-N-(3-ethoxyphenyl)-4-fluoroaniline
CID 141222673
4-fluoro-2-N-naphthalen-2-ylbenzene-1,2-diamine
CID 62376460
2-[(3-ethoxyphenoxy)methyl]-5-fluoroaniline
CID 64768838
3-(2-amino-5-fluoroanilino)benzonitrile
CID 55067681
4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine
CID 79917337
3-amino-4-(3-ethoxyanilino)-N-methylbenzamide
CID 82991688

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine (CID 62377477) is 2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine is CCOc1cccc(Nc2cc(F)ccc2N)c1.
What is the InChIKey of 2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine?
The InChIKey is MCKAMABUSIRWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-2-18-12-5-3-4-11(9-12)17-14-8-10(15)6-7-13(14)16/h3-9,17H,2,16H2,1H3.
What are the key properties of 2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine?
2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine has a molecular weight of 246.28 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 62377477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).