4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine

C16H19FN2 — CID 115124219

IUPAC4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
SMILESCc1cccc(CCN(C)c2cc(F)ccc2N)c1
InChIInChI=1S/C16H19FN2/c1-12-4-3-5-13(10-12)8-9-19(2)16-11-14(17)6-7-15(16)18/h3-7,10-11H,8-9,18H2,1-2H3
InChIKeyUBKMOAFTNLKWET-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.40
Rot. Bonds4

About 4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine

4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine (PubChem CID 115124219) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
PubChem CID115124219
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
SMILESCc1cccc(CCN(C)c2cc(F)ccc2N)c1
InChIInChI=1S/C16H19FN2/c1-12-4-3-5-13(10-12)8-9-19(2)16-11-14(17)6-7-15(16)18/h3-7,10-11H,8-9,18H2,1-2H3
InChIKeyUBKMOAFTNLKWET-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 115126434
2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine
CID 63693587
4-fluoro-2-N-methyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]benzene-1,2-diamine
CID 115124214
4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041336
2-N,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine
CID 115126452
4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 63206874
N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine
CID 129060272
2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid
CID 135325242
4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 81058264
4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 62378502
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine
CID 115213284
1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol
CID 82684970

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine?
The IUPAC name of 4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine (CID 115124219) is 4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine is Cc1cccc(CCN(C)c2cc(F)ccc2N)c1.
What is the InChIKey of 4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine?
The InChIKey is UBKMOAFTNLKWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-12-4-3-5-13(10-12)8-9-19(2)16-11-14(17)6-7-15(16)18/h3-7,10-11H,8-9,18H2,1-2H3.
What are the key properties of 4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine?
4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine has a molecular weight of 258.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 115124219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).