1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine

C15H17FN2O — CID 115127036

IUPAC1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
SMILESCCOc1ccc(N(C)c2cccc(F)c2N)cc1
InChIInChI=1S/C15H17FN2O/c1-3-19-12-9-7-11(8-10-12)18(2)14-6-4-5-13(16)15(14)17/h4-10H,3,17H2,1-2H3
InChIKeyHYCCVTNEYFAUCR-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.57
Rot. Bonds4

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

1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine (PubChem CID 115127036) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
PubChem CID115127036
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
SMILESCCOc1ccc(N(C)c2cccc(F)c2N)cc1
InChIInChI=1S/C15H17FN2O/c1-3-19-12-9-7-11(8-10-12)18(2)14-6-4-5-13(16)15(14)17/h4-10H,3,17H2,1-2H3
InChIKeyHYCCVTNEYFAUCR-UHFFFAOYSA-N
XLogP3.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine
CID 115127029
3-fluoro-1-N-methyl-1-N-pyridin-4-ylbenzene-1,2-diamine
CID 115127058
1-N-(3,5-dimethylphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 62002994
3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine
CID 115127057
3-fluoro-1-N-methyl-1-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
CID 115127044
4-ethoxy-N,N-dimethylaniline
CID 3624890
N-(4-ethoxyphenyl)-N,4-dimethylaniline
CID 20575987
3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline
CID 117029128
2-(3-ethoxyphenyl)-6-fluoroaniline
CID 107602864
1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 115127062
1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 60788942
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine (CID 115127036) is 1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine is CCOc1ccc(N(C)c2cccc(F)c2N)cc1.
What is the InChIKey of 1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine?
The InChIKey is HYCCVTNEYFAUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-3-19-12-9-7-11(8-10-12)18(2)14-6-4-5-13(16)15(14)17/h4-10H,3,17H2,1-2H3.
What are the key properties of 1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine?
1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine has a molecular weight of 260.31 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 115127036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).