1-N-(4-amino-2-fluorophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine

C15H18FN3 — CID 115376263

IUPAC1-N-(4-amino-2-fluorophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(Nc2ccc(N)cc2F)cc1N(C)C
InChIInChI=1S/C15H18FN3/c1-10-4-6-12(9-15(10)19(2)3)18-14-7-5-11(17)8-13(14)16/h4-9,18H,17H2,1-3H3
InChIKeyFSNKPTPUZVWOMW-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.53
Rot. Bonds3

About 1-N-(4-amino-2-fluorophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine

1-N-(4-amino-2-fluorophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine (PubChem CID 115376263) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-N-(4-amino-2-fluorophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(4-amino-2-fluorophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
PubChem CID115376263
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name1-N-(4-amino-2-fluorophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(Nc2ccc(N)cc2F)cc1N(C)C
InChIInChI=1S/C15H18FN3/c1-10-4-6-12(9-15(10)19(2)3)18-14-7-5-11(17)8-13(14)16/h4-9,18H,17H2,1-3H3
InChIKeyFSNKPTPUZVWOMW-UHFFFAOYSA-N
XLogP3.53
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.53
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-[3-(dimethylamino)-4-methylanilino]-3-fluorobenzenecarbothioamide
CID 115377751
1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297487
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide
CID 115375795
1-N-[3-(dimethylamino)-4-methylphenyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 115376304
1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067140
3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 838511
1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067195
2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine
CID 29067094
5-chloro-2-[3-(dimethylamino)-4-methylanilino]benzenecarbothioamide
CID 115377728
2-amino-4-[3-(dimethylamino)-4-methylanilino]benzonitrile
CID 115376212
2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine
CID 115376279
1-N-[4-(dimethylamino)phenyl]-2-methylbenzene-1,4-diamine
CID 43616859

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-amino-2-fluorophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(4-amino-2-fluorophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine (CID 115376263) is 1-N-(4-amino-2-fluorophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(4-amino-2-fluorophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(4-amino-2-fluorophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine is Cc1ccc(Nc2ccc(N)cc2F)cc1N(C)C.
What is the InChIKey of 1-N-(4-amino-2-fluorophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The InChIKey is FSNKPTPUZVWOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-10-4-6-12(9-15(10)19(2)3)18-14-7-5-11(17)8-13(14)16/h4-9,18H,17H2,1-3H3.
What are the key properties of 1-N-(4-amino-2-fluorophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
1-N-(4-amino-2-fluorophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine has a molecular weight of 259.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-amino-2-fluorophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine is sourced from PubChem (CID 115376263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).