3-N-(2-fluorophenyl)-3-N,4-dimethylbenzene-1,3-diamine

C14H15FN2 — CID 55091797

IUPAC3-N-(2-fluorophenyl)-3-N,4-dimethylbenzene-1,3-diamine
SMILESCc1ccc(N)cc1N(C)c1ccccc1F
InChIInChI=1S/C14H15FN2/c1-10-7-8-11(16)9-14(10)17(2)13-6-4-3-5-12(13)15/h3-9H,16H2,1-2H3
InChIKeyBDBXRKKYQXFXJS-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.48
Rot. Bonds2

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

3-N-(2-fluorophenyl)-3-N,4-dimethylbenzene-1,3-diamine (PubChem CID 55091797) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-N-(2-fluorophenyl)-3-N,4-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-fluorophenyl)-3-N,4-dimethylbenzene-1,3-diamine
PubChem CID55091797
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name3-N-(2-fluorophenyl)-3-N,4-dimethylbenzene-1,3-diamine
SMILESCc1ccc(N)cc1N(C)c1ccccc1F
InChIInChI=1S/C14H15FN2/c1-10-7-8-11(16)9-14(10)17(2)13-6-4-3-5-12(13)15/h3-9H,16H2,1-2H3
InChIKeyBDBXRKKYQXFXJS-UHFFFAOYSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.48
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

3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 838511
4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline
CID 55207918
2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 79176501
3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline
CID 64768467
5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine
CID 103552991
2-fluoro-N-(2-fluorophenyl)-N-methyl-5-phenylaniline
CID 90266693
2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline
CID 90266704
2,5-bis(2-fluoro-N-methylanilino)benzene-1,4-dicarbonitrile
CID 21058556
4-amino-3-(2-fluoro-N-methylanilino)benzoic acid
CID 82785779
2-N,4,5-trimethyl-2-N-(2-methylphenyl)benzene-1,2-diamine
CID 114281251
2-N-(5-chloro-2-fluorophenyl)-2-N-methylbenzene-1,2-diamine
CID 115124390
1-N-(3,5-dimethylphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 62002994

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-fluorophenyl)-3-N,4-dimethylbenzene-1,3-diamine?
The IUPAC name of 3-N-(2-fluorophenyl)-3-N,4-dimethylbenzene-1,3-diamine (CID 55091797) is 3-N-(2-fluorophenyl)-3-N,4-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-fluorophenyl)-3-N,4-dimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-fluorophenyl)-3-N,4-dimethylbenzene-1,3-diamine is Cc1ccc(N)cc1N(C)c1ccccc1F.
What is the InChIKey of 3-N-(2-fluorophenyl)-3-N,4-dimethylbenzene-1,3-diamine?
The InChIKey is BDBXRKKYQXFXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-10-7-8-11(16)9-14(10)17(2)13-6-4-3-5-12(13)15/h3-9H,16H2,1-2H3.
What are the key properties of 3-N-(2-fluorophenyl)-3-N,4-dimethylbenzene-1,3-diamine?
3-N-(2-fluorophenyl)-3-N,4-dimethylbenzene-1,3-diamine has a molecular weight of 230.29 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-fluorophenyl)-3-N,4-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 55091797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).