1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine

C15H17FN2 — CID 78913980

IUPAC1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cccc(NCc2ccccc2F)c1
InChIInChI=1S/C15H17FN2/c1-18(2)14-8-5-7-13(10-14)17-11-12-6-3-4-9-15(12)16/h3-10,17H,11H2,1-2H3
InChIKeyFNKZPYFYICRUBZ-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.50
Rot. Bonds4

About 1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 78913980) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID78913980
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cccc(NCc2ccccc2F)c1
InChIInChI=1S/C15H17FN2/c1-18(2)14-8-5-7-13(10-14)17-11-12-6-3-4-9-15(12)16/h3-10,17H,11H2,1-2H3
InChIKeyFNKZPYFYICRUBZ-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(4-fluoro-2-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376553
1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 78913927
N-[(2-fluorophenyl)methyl]-3-iodoaniline
CID 28879188
2-[[3-(dimethylamino)anilino]methyl]benzamide
CID 115377923
1-N-[(3-bromo-4-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376523
1-N-[[4-(dimethylamino)phenyl]methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82538778
N-[[3-[(2-fluorophenyl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43433505
3-N,3-N-dimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine
CID 115376184
1-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 78913928
[3-[(2-fluorophenyl)methylamino]phenyl]-phenylmethanone
CID 110823801
1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726653
4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine
CID 106750257

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine (CID 78913980) is 1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine is CN(C)c1cccc(NCc2ccccc2F)c1.
What is the InChIKey of 1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is FNKZPYFYICRUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-18(2)14-8-5-7-13(10-14)17-11-12-6-3-4-9-15(12)16/h3-10,17H,11H2,1-2H3.
What are the key properties of 1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 244.31 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 78913980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).