4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine

C15H16ClFN2O — CID 107466302

IUPAC4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine
SMILESCOc1ccc(CN(C)c2cc(Cl)ccc2N)c(F)c1
InChIInChI=1S/C15H16ClFN2O/c1-19(15-7-11(16)4-6-14(15)18)9-10-3-5-12(20-2)8-13(10)17/h3-8H,9,18H2,1-2H3
InChIKeyRUBOJQBJGXLCDZ-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.71
Rot. Bonds4

About 4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine

4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine (PubChem CID 107466302) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine
PubChem CID107466302
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine
SMILESCOc1ccc(CN(C)c2cc(Cl)ccc2N)c(F)c1
InChIInChI=1S/C15H16ClFN2O/c1-19(15-7-11(16)4-6-14(15)18)9-10-3-5-12(20-2)8-13(10)17/h3-8H,9,18H2,1-2H3
InChIKeyRUBOJQBJGXLCDZ-UHFFFAOYSA-N
XLogP3.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 115468715
4-chloro-2-N-[(2-chloro-4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466084
4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466083
4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466040
2-N-[(4-bromo-2-chlorophenyl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine
CID 107466018
4-chloro-2-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]aniline
CID 102879929
4-chloro-5-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]dithiol-3-one
CID 146381197
1-(2-amino-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114863532
4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 43577989
2-fluoro-4-methoxyaniline
CID 3756383
2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid
CID 102877379
4-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]benzonitrile
CID 102876735

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine (CID 107466302) is 4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine is COc1ccc(CN(C)c2cc(Cl)ccc2N)c(F)c1.
What is the InChIKey of 4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine?
The InChIKey is RUBOJQBJGXLCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-19(15-7-11(16)4-6-14(15)18)9-10-3-5-12(20-2)8-13(10)17/h3-8H,9,18H2,1-2H3.
What are the key properties of 4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine?
4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine has a molecular weight of 294.76 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 107466302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).