1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine

C15H16ClFN2 — CID 103590061

IUPAC1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine
SMILESCc1cc(N(C)Cc2ccc(Cl)cc2)c(N)cc1F
InChIInChI=1S/C15H16ClFN2/c1-10-7-15(14(18)8-13(10)17)19(2)9-11-3-5-12(16)6-4-11/h3-8H,9,18H2,1-2H3
InChIKeyWYOIALSBLNMOOD-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.01
Rot. Bonds3

About 1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine

1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine (PubChem CID 103590061) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine
PubChem CID103590061
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine
SMILESCc1cc(N(C)Cc2ccc(Cl)cc2)c(N)cc1F
InChIInChI=1S/C15H16ClFN2/c1-10-7-15(14(18)8-13(10)17)19(2)9-11-3-5-12(16)6-4-11/h3-8H,9,18H2,1-2H3
InChIKeyWYOIALSBLNMOOD-UHFFFAOYSA-N
XLogP4.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.01
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-methylbenzene-1,2-diamine
CID 61414834
1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 115125081
4-bromo-5-fluoro-2-N-methyl-2-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 116735313
5-N-[(4-chlorophenyl)methyl]-5-N,2-dimethyl-1,3-benzothiazole-5,6-diamine
CID 63402580
1-N-benzyl-4-chloro-5-fluoro-1-N-methylbenzene-1,2-diamine
CID 66079317
2-chloro-4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylbenzene-1,4-diamine
CID 115554599
4-fluoro-1-N-methyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 28798518
4-N-[(4-chlorophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123911
4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine
CID 103589931
3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide
CID 61415166
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 61414753
1-N-[(4-ethylphenyl)methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine
CID 63600105

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine (CID 103590061) is 1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine is Cc1cc(N(C)Cc2ccc(Cl)cc2)c(N)cc1F.
What is the InChIKey of 1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine?
The InChIKey is WYOIALSBLNMOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-10-7-15(14(18)8-13(10)17)19(2)9-11-3-5-12(16)6-4-11/h3-8H,9,18H2,1-2H3.
What are the key properties of 1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine?
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine has a molecular weight of 278.76 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 103590061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).