1-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine

C15H17FN2 — CID 115127074

IUPAC1-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine
SMILESCc1ccc(CNc2cccc(F)c2N)c(C)c1
InChIInChI=1S/C15H17FN2/c1-10-6-7-12(11(2)8-10)9-18-14-5-3-4-13(16)15(14)17/h3-8,18H,9,17H2,1-2H3
InChIKeyVAUSWLLIUPBENK-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.64
Rot. Bonds3

About 1-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine

1-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine (PubChem CID 115127074) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine
PubChem CID115127074
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name1-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine
SMILESCc1ccc(CNc2cccc(F)c2N)c(C)c1
InChIInChI=1S/C15H17FN2/c1-10-6-7-12(11(2)8-10)9-18-14-5-3-4-13(16)15(14)17/h3-8,18H,9,17H2,1-2H3
InChIKeyVAUSWLLIUPBENK-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

2-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 115125736
2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine
CID 115124442
N-[(2,5-dimethylphenyl)methyl]-2,3-difluoroaniline
CID 54957845
4-N-[(2,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123857
[2-[(2,4-dimethylphenyl)methylamino]phenyl]methanol
CID 43743124
3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 60789566
N-[(2,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine
CID 79041859
N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline
CID 106862168
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
CID 114075335
2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline
CID 107527051
N-[(2,4-dimethylphenyl)methyl]-6-fluoropyridin-2-amine
CID 115591104
2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
CID 82761087

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine (CID 115127074) is 1-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine is Cc1ccc(CNc2cccc(F)c2N)c(C)c1.
What is the InChIKey of 1-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine?
The InChIKey is VAUSWLLIUPBENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-10-6-7-12(11(2)8-10)9-18-14-5-3-4-13(16)15(14)17/h3-8,18H,9,17H2,1-2H3.
What are the key properties of 1-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine?
1-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-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 1-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine is sourced from PubChem (CID 115127074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).