2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine

C14H15FN2 — CID 115123885

IUPAC2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
SMILESCc1cccc(CNc2ccc(N)c(F)c2)c1
InChIInChI=1S/C14H15FN2/c1-10-3-2-4-11(7-10)9-17-12-5-6-14(16)13(15)8-12/h2-8,17H,9,16H2,1H3
InChIKeyDUXMKUPJPGQOIG-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.33
Rot. Bonds3

About 2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine

2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine (PubChem CID 115123885) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
PubChem CID115123885
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
SMILESCc1cccc(CNc2ccc(N)c(F)c2)c1
InChIInChI=1S/C14H15FN2/c1-10-3-2-4-11(7-10)9-17-12-5-6-14(16)13(15)8-12/h2-8,17H,9,16H2,1H3
InChIKeyDUXMKUPJPGQOIG-UHFFFAOYSA-N
XLogP3.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.33
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-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123846
2-fluoro-4-[(3-methylphenyl)methylamino]benzoic acid
CID 113319749
4-ethoxy-3-fluoro-N-[(3-methylphenyl)methyl]aniline
CID 115587227
3-fluoro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 115125763
4-N-[(2,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123857
2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine
CID 115123848
2-fluoro-1-N-methyl-4-N-[(3-methylphenyl)methyl]-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679298
2-(hydroxymethyl)-5-[(3-methylphenyl)methylamino]phenol
CID 83962331
4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine
CID 106750720
4-chloro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 113315630
4-chloro-5-fluoro-1-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 66077217
2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108997018

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine (CID 115123885) is 2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine is Cc1cccc(CNc2ccc(N)c(F)c2)c1.
What is the InChIKey of 2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine?
The InChIKey is DUXMKUPJPGQOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-10-3-2-4-11(7-10)9-17-12-5-6-14(16)13(15)8-12/h2-8,17H,9,16H2,1H3.
What are the key properties of 2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine?
2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine has a molecular weight of 230.29 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 115123885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).