2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine

C15H17FN2 — CID 115126755

IUPAC2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
SMILESCc1cc(N)c(NCc2ccccc2F)cc1C
InChIInChI=1S/C15H17FN2/c1-10-7-14(17)15(8-11(10)2)18-9-12-5-3-4-6-13(12)16/h3-8,18H,9,17H2,1-2H3
InChIKeyDXHVIJQAXOBAQK-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.64
Rot. Bonds3

About 2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine

2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine (PubChem CID 115126755) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
PubChem CID115126755
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
SMILESCc1cc(N)c(NCc2ccccc2F)cc1C
InChIInChI=1S/C15H17FN2/c1-10-7-14(17)15(8-11(10)2)18-9-12-5-3-4-6-13(12)16/h3-8,18H,9,17H2,1-2H3
InChIKeyDXHVIJQAXOBAQK-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.64
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-chloro-5-fluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine
CID 66079324
1-N-[(2-bromophenyl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590055
4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine
CID 103590333
4-chloro-5-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 66077026
N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 43230210
4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine
CID 63592209
2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline
CID 104726385
N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103584865
3,5-difluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine
CID 115506482
4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine
CID 115126820
[3-[(2-fluorophenyl)methylamino]-4-methylphenyl]methanol
CID 83962362
4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine
CID 106750257

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine?
The IUPAC name of 2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine (CID 115126755) is 2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine is Cc1cc(N)c(NCc2ccccc2F)cc1C.
What is the InChIKey of 2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine?
The InChIKey is DXHVIJQAXOBAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-10-7-14(17)15(8-11(10)2)18-9-12-5-3-4-6-13(12)16/h3-8,18H,9,17H2,1-2H3.
What are the key properties of 2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine?
2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine has a molecular weight of 244.31 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 115126755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).