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

C14H15FN2 — CID 115125763

IUPAC3-fluoro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
SMILESCc1cccc(CNc2c(N)cccc2F)c1
InChIInChI=1S/C14H15FN2/c1-10-4-2-5-11(8-10)9-17-14-12(15)6-3-7-13(14)16/h2-8,17H,9,16H2,1H3
InChIKeyNFLDDKAAYSMVMF-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.33
Rot. Bonds3

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

3-fluoro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine (PubChem CID 115125763) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-fluoro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
PubChem CID115125763
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name3-fluoro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
SMILESCc1cccc(CNc2c(N)cccc2F)c1
InChIInChI=1S/C14H15FN2/c1-10-4-2-5-11(8-10)9-17-14-12(15)6-3-7-13(14)16/h2-8,17H,9,16H2,1H3
InChIKeyNFLDDKAAYSMVMF-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

3-fluoro-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
CID 115125852
2-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 115125736
2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
CID 115123885
3-fluoro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 115125725
4-chloro-5-fluoro-1-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 66077217
2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
CID 106890024
3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 115125830
4-chloro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 113315630
1-(2,6-difluorophenyl)-3-[(3-methylphenyl)methyl]thiourea
CID 100627989
2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63644666
2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62121783
2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 112740496

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 3-fluoro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine (CID 115125763) is 3-fluoro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine is Cc1cccc(CNc2c(N)cccc2F)c1.
What is the InChIKey of 3-fluoro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine?
The InChIKey is NFLDDKAAYSMVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-10-4-2-5-11(8-10)9-17-14-12(15)6-3-7-13(14)16/h2-8,17H,9,16H2,1H3.
What are the key properties of 3-fluoro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine?
3-fluoro-2-N-[(3-methylphenyl)methyl]benzene-1,2-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 3-fluoro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 115125763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).