4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine

C16H19FN2 — CID 103590140

IUPAC4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine
SMILESCc1ccc(C(C)Nc2cc(C)c(F)cc2N)cc1
InChIInChI=1S/C16H19FN2/c1-10-4-6-13(7-5-10)12(3)19-16-8-11(2)14(17)9-15(16)18/h4-9,12,19H,18H2,1-3H3
InChIKeyGCRWRCPOYBKRAK-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.20
Rot. Bonds3

About 4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine

4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine (PubChem CID 103590140) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine
PubChem CID103590140
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine
SMILESCc1ccc(C(C)Nc2cc(C)c(F)cc2N)cc1
InChIInChI=1S/C16H19FN2/c1-10-4-6-13(7-5-10)12(3)19-16-8-11(2)14(17)9-15(16)18/h4-9,12,19H,18H2,1-3H3
InChIKeyGCRWRCPOYBKRAK-UHFFFAOYSA-N
XLogP4.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-nitroaniline
CID 103591618
2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43114236
2-chloro-5-methyl-4-N-[1-(4-methylphenyl)ethyl]benzene-1,4-diamine
CID 115554734
1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590224
4-bromo-5-fluoro-2-N-[(1R)-1-phenylethyl]benzene-1,2-diamine
CID 89287608
N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline
CID 43078754
2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol
CID 106953903
5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43102806
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 43088434
4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine
CID 103589902
N-[1-(3,4-dimethylphenyl)ethyl]-2,5-difluoro-4-methylaniline
CID 103585111
4-fluoro-5-methyl-1-N-(2-methyl-1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 103590138

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine (CID 103590140) is 4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine is Cc1ccc(C(C)Nc2cc(C)c(F)cc2N)cc1.
What is the InChIKey of 4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine?
The InChIKey is GCRWRCPOYBKRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-10-4-6-13(7-5-10)12(3)19-16-8-11(2)14(17)9-15(16)18/h4-9,12,19H,18H2,1-3H3.
What are the key properties of 4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine?
4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine has a molecular weight of 258.34 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 103590140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).