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

C16H19FN2 — CID 115376553

IUPAC1-N-[(4-fluoro-2-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCc1cc(F)ccc1CNc1cccc(N(C)C)c1
InChIInChI=1S/C16H19FN2/c1-12-9-14(17)8-7-13(12)11-18-15-5-4-6-16(10-15)19(2)3/h4-10,18H,11H2,1-3H3
InChIKeyIRXOTUXCGRQZAE-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.81
Rot. Bonds4

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

1-N-[(4-fluoro-2-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 115376553) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-N-[(4-fluoro-2-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[(4-fluoro-2-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID115376553
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-N-[(4-fluoro-2-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCc1cc(F)ccc1CNc1cccc(N(C)C)c1
InChIInChI=1S/C16H19FN2/c1-12-9-14(17)8-7-13(12)11-18-15-5-4-6-16(10-15)19(2)3/h4-10,18H,11H2,1-3H3
InChIKeyIRXOTUXCGRQZAE-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline
CID 63421874
N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrrol-1-ylaniline
CID 63445707
1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 78913980
2-[3-[(4-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile
CID 62136451
N-[(4-fluoro-2-methylphenyl)methyl]-3-imidazol-1-ylaniline
CID 62134903
3-N,3-N-dimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine
CID 115376184
N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrazol-1-ylaniline
CID 62134761
4-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylaniline
CID 62123655
1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 78913927
1-N-[[4-(dimethylamino)phenyl]methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82538778
2,2-difluoro-N-[(4-fluoro-2-methylphenyl)methyl]-1,3-benzodioxol-5-amine
CID 63422823
2-[[3-(dimethylamino)anilino]methyl]benzamide
CID 115377923

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-fluoro-2-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[(4-fluoro-2-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine (CID 115376553) is 1-N-[(4-fluoro-2-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[(4-fluoro-2-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[(4-fluoro-2-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine is Cc1cc(F)ccc1CNc1cccc(N(C)C)c1.
What is the InChIKey of 1-N-[(4-fluoro-2-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is IRXOTUXCGRQZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-12-9-14(17)8-7-13(12)11-18-15-5-4-6-16(10-15)19(2)3/h4-10,18H,11H2,1-3H3.
What are the key properties of 1-N-[(4-fluoro-2-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-[(4-fluoro-2-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 258.34 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-fluoro-2-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 115376553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).