4-N-(4-bromophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine

C14H15BrN2 — CID 117029083

IUPAC4-N-(4-bromophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
SMILESCNc1ccc(N(C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H15BrN2/c1-16-12-5-9-14(10-6-12)17(2)13-7-3-11(15)4-8-13/h3-10,16H,1-2H3
InChIKeyBLWPOOIAPPEOKQ-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.26
Rot. Bonds3

About 4-N-(4-bromophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine

4-N-(4-bromophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 117029083) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID117029083
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name4-N-(4-bromophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
SMILESCNc1ccc(N(C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H15BrN2/c1-16-12-5-9-14(10-6-12)17(2)13-7-3-11(15)4-8-13/h3-10,16H,1-2H3
InChIKeyBLWPOOIAPPEOKQ-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4-bromophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine (CID 117029083) is 4-N-(4-bromophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-bromophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-bromophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine is CNc1ccc(N(C)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-N-(4-bromophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is BLWPOOIAPPEOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-16-12-5-9-14(10-6-12)17(2)13-7-3-11(15)4-8-13/h3-10,16H,1-2H3.
What are the key properties of 4-N-(4-bromophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine?
4-N-(4-bromophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 291.19 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-1-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 117029083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).