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

C14H14BrFN2 — CID 115123939

IUPAC4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
SMILESCN(Cc1ccccc1Br)c1ccc(N)c(F)c1
InChIInChI=1S/C14H14BrFN2/c1-18(9-10-4-2-3-5-12(10)15)11-6-7-14(17)13(16)8-11/h2-8H,9,17H2,1H3
InChIKeyAWRZNIAUHXQPKN-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.81
Rot. Bonds3

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

4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine (PubChem CID 115123939) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
PubChem CID115123939
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
SMILESCN(Cc1ccccc1Br)c1ccc(N)c(F)c1
InChIInChI=1S/C14H14BrFN2/c1-18(9-10-4-2-3-5-12(10)15)11-6-7-14(17)13(16)8-11/h2-8H,9,17H2,1H3
InChIKeyAWRZNIAUHXQPKN-UHFFFAOYSA-N
XLogP3.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 53.81
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

2-amino-5-[(2-bromophenyl)methyl-methylamino]benzonitrile
CID 115499199
4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 107274766
4-N-[(5-bromothiophen-2-yl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123916
2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 61413060
4-N-[(4-bromothiophen-2-yl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123925
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 61416417
3-N-[(2-bromophenyl)methyl]-3-N,5-dimethylbenzene-1,3-diamine
CID 112647329
4-N-[(4-chlorophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123911
2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63672171
2-[2-amino-5-[(2-fluorophenyl)methyl-methylamino]phenyl]acetonitrile
CID 102623910
3-N-[(2-bromophenyl)methyl]-3-N-methyl-5-nitrobenzene-1,3-diamine
CID 80794115
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline
CID 61416419

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine (CID 115123939) is 4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine is CN(Cc1ccccc1Br)c1ccc(N)c(F)c1.
What is the InChIKey of 4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine?
The InChIKey is AWRZNIAUHXQPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-18(9-10-4-2-3-5-12(10)15)11-6-7-14(17)13(16)8-11/h2-8H,9,17H2,1H3.
What are the key properties of 4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine?
4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine has a molecular weight of 309.18 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 115123939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).