4-ethoxy-5-fluoro-2-N-(1-phenylpropan-2-yl)benzene-1,2-diamine

C17H21FN2O — CID 63593773

IUPAC4-ethoxy-5-fluoro-2-N-(1-phenylpropan-2-yl)benzene-1,2-diamine
SMILESCCOc1cc(NC(C)Cc2ccccc2)c(N)cc1F
InChIInChI=1S/C17H21FN2O/c1-3-21-17-11-16(15(19)10-14(17)18)20-12(2)9-13-7-5-4-6-8-13/h4-8,10-12,20H,3,9,19H2,1-2H3
InChIKeyMJGQXTXHDHZYRD-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.85
Rot. Bonds6

About 4-ethoxy-5-fluoro-2-N-(1-phenylpropan-2-yl)benzene-1,2-diamine

4-ethoxy-5-fluoro-2-N-(1-phenylpropan-2-yl)benzene-1,2-diamine (PubChem CID 63593773) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-N-(1-phenylpropan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-N-(1-phenylpropan-2-yl)benzene-1,2-diamine
PubChem CID63593773
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name4-ethoxy-5-fluoro-2-N-(1-phenylpropan-2-yl)benzene-1,2-diamine
SMILESCCOc1cc(NC(C)Cc2ccccc2)c(N)cc1F
InChIInChI=1S/C17H21FN2O/c1-3-21-17-11-16(15(19)10-14(17)18)20-12(2)9-13-7-5-4-6-8-13/h4-8,10-12,20H,3,9,19H2,1-2H3
InChIKeyMJGQXTXHDHZYRD-UHFFFAOYSA-N
XLogP3.85
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.85
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

4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine
CID 63593384
4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine
CID 63593047
4-ethoxy-5-fluoro-2-N-hexan-3-ylbenzene-1,2-diamine
CID 63592175
4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 63593234
1-N-benzyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63591848
4-ethoxy-5-fluoro-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 63592499
1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine
CID 63592624
5-[2-(benzylamino)propyl]-2-ethoxyaniline
CID 82257507
4-ethoxy-5-fluoro-2-N-(3-methylsulfanylbutyl)benzene-1,2-diamine
CID 113493863
4-ethoxy-5-fluoro-2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 63592152
4-ethoxy-5-fluoro-2-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
CID 63592330
4-ethoxy-5-fluoro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 63592882

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-N-(1-phenylpropan-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-ethoxy-5-fluoro-2-N-(1-phenylpropan-2-yl)benzene-1,2-diamine (CID 63593773) is 4-ethoxy-5-fluoro-2-N-(1-phenylpropan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-N-(1-phenylpropan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-ethoxy-5-fluoro-2-N-(1-phenylpropan-2-yl)benzene-1,2-diamine is CCOc1cc(NC(C)Cc2ccccc2)c(N)cc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-N-(1-phenylpropan-2-yl)benzene-1,2-diamine?
The InChIKey is MJGQXTXHDHZYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-3-21-17-11-16(15(19)10-14(17)18)20-12(2)9-13-7-5-4-6-8-13/h4-8,10-12,20H,3,9,19H2,1-2H3.
What are the key properties of 4-ethoxy-5-fluoro-2-N-(1-phenylpropan-2-yl)benzene-1,2-diamine?
4-ethoxy-5-fluoro-2-N-(1-phenylpropan-2-yl)benzene-1,2-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluoro-2-N-(1-phenylpropan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 63593773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).