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

C16H19FN2 — CID 115125081

IUPAC1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylbenzene-1,2-diamine
SMILESCc1ccc(N(C)Cc2ccc(F)c(C)c2)c(N)c1
InChIInChI=1S/C16H19FN2/c1-11-4-7-16(15(18)8-11)19(3)10-13-5-6-14(17)12(2)9-13/h4-9H,10,18H2,1-3H3
InChIKeyFDOUKIIYNMJMRT-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.66
Rot. Bonds3

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

1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylbenzene-1,2-diamine (PubChem CID 115125081) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylbenzene-1,2-diamine
PubChem CID115125081
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylbenzene-1,2-diamine
SMILESCc1ccc(N(C)Cc2ccc(F)c(C)c2)c(N)c1
InChIInChI=1S/C16H19FN2/c1-11-4-7-16(15(18)8-11)19(3)10-13-5-6-14(17)12(2)9-13/h4-9H,10,18H2,1-3H3
InChIKeyFDOUKIIYNMJMRT-UHFFFAOYSA-N
XLogP3.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine
CID 103590061
4-fluoro-1-N-methyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 28798518
4-iodo-1-N-methyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 66065655
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 61414834
4-bromo-5-fluoro-2-N-methyl-2-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 116735313
1-N-(3H-benzimidazol-5-ylmethyl)-1-N,4-dimethylbenzene-1,2-diamine
CID 115125097
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 115147979
N-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline
CID 62001809
4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline
CID 60929562
4-[(N,2,4-trimethylanilino)methyl]phenol
CID 82972802
1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine
CID 112656745
4-chloro-1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]benzene-1,2-diamine
CID 115125246

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylbenzene-1,2-diamine (CID 115125081) is 1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylbenzene-1,2-diamine is Cc1ccc(N(C)Cc2ccc(F)c(C)c2)c(N)c1.
What is the InChIKey of 1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylbenzene-1,2-diamine?
The InChIKey is FDOUKIIYNMJMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-11-4-7-16(15(18)8-11)19(3)10-13-5-6-14(17)12(2)9-13/h4-9H,10,18H2,1-3H3.
What are the key properties of 1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylbenzene-1,2-diamine?
1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylbenzene-1,2-diamine has a molecular weight of 258.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 115125081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).