N-(3-bromophenyl)-N,2-dimethylaniline

C14H14BrN — CID 146003911

IUPACN-(3-bromophenyl)-N,2-dimethylaniline
SMILESCc1ccccc1N(C)c1cccc(Br)c1
InChIInChI=1S/C14H14BrN/c1-11-6-3-4-9-14(11)16(2)13-8-5-7-12(15)10-13/h3-10H,1-2H3
InChIKeyCCTFPLVFZLCFLZ-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.53
Rot. Bonds2

About N-(3-bromophenyl)-N,2-dimethylaniline

N-(3-bromophenyl)-N,2-dimethylaniline (PubChem CID 146003911) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-N,2-dimethylaniline.

Molecular Properties

Compound NameN-(3-bromophenyl)-N,2-dimethylaniline
PubChem CID146003911
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC NameN-(3-bromophenyl)-N,2-dimethylaniline
SMILESCc1ccccc1N(C)c1cccc(Br)c1
InChIInChI=1S/C14H14BrN/c1-11-6-3-4-9-14(11)16(2)13-8-5-7-12(15)10-13/h3-10H,1-2H3
InChIKeyCCTFPLVFZLCFLZ-UHFFFAOYSA-N
XLogP4.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N,2-dimethylaniline?
The IUPAC name of N-(3-bromophenyl)-N,2-dimethylaniline (CID 146003911) is N-(3-bromophenyl)-N,2-dimethylaniline.
What is the SMILES notation for N-(3-bromophenyl)-N,2-dimethylaniline?
The canonical SMILES for N-(3-bromophenyl)-N,2-dimethylaniline is Cc1ccccc1N(C)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N,2-dimethylaniline?
The InChIKey is CCTFPLVFZLCFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c1-11-6-3-4-9-14(11)16(2)13-8-5-7-12(15)10-13/h3-10H,1-2H3.
What are the key properties of N-(3-bromophenyl)-N,2-dimethylaniline?
N-(3-bromophenyl)-N,2-dimethylaniline has a molecular weight of 276.18 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N,2-dimethylaniline is sourced from PubChem (CID 146003911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).