2-bromo-1,3-dimethylbenzene;N,N-dimethylpropan-1-amine

C13H22BrN — CID 163375562

IUPAC2-bromo-1,3-dimethylbenzene;N,N-dimethylpropan-1-amine
SMILESCCCN(C)C.Cc1cccc(C)c1Br
InChIInChI=1S/C8H9Br.C5H13N/c1-6-4-3-5-7(2)8(6)9;1-4-5-6(2)3/h3-5H,1-2H3;4-5H2,1-3H3
InChIKeyKRURPMIPGHKPTN-UHFFFAOYSA-N
MW272.23 g/mol
LogP4.02
Rot. Bonds2

About 2-bromo-1,3-dimethylbenzene;N,N-dimethylpropan-1-amine

2-bromo-1,3-dimethylbenzene;N,N-dimethylpropan-1-amine (PubChem CID 163375562) has the molecular formula C13H22BrN and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-bromo-1,3-dimethylbenzene;N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-bromo-1,3-dimethylbenzene;N,N-dimethylpropan-1-amine
PubChem CID163375562
Molecular FormulaC13H22BrN
Molecular Weight272.23 g/mol
Exact Mass271.09
IUPAC Name2-bromo-1,3-dimethylbenzene;N,N-dimethylpropan-1-amine
SMILESCCCN(C)C.Cc1cccc(C)c1Br
InChIInChI=1S/C8H9Br.C5H13N/c1-6-4-3-5-7(2)8(6)9;1-4-5-6(2)3/h3-5H,1-2H3;4-5H2,1-3H3
InChIKeyKRURPMIPGHKPTN-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine
CID 163375747
2-[(2-bromo-3-methylbenzoyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107981567
N,2-dimethyl-N-propylaniline
CID 69435269
1-(2-bromo-3-methylphenyl)butan-1-one
CID 58572622
2-bromobenzene-1,3-dicarboxylic acid;2-bromo-1,3-dimethylbenzene
CID 167562654
2-bromo-1-[2-(2-bromo-3-methylphenyl)phenyl]-3-methylbenzene
CID 147690466
2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide
CID 107983067
3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine
CID 115549884
N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine
CID 107984713
2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 107982464
2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109308
N,N-dibutyl-2,6-dimethylaniline
CID 100917562

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-dimethylbenzene;N,N-dimethylpropan-1-amine?
The IUPAC name of 2-bromo-1,3-dimethylbenzene;N,N-dimethylpropan-1-amine (CID 163375562) is 2-bromo-1,3-dimethylbenzene;N,N-dimethylpropan-1-amine.
What is the SMILES notation for 2-bromo-1,3-dimethylbenzene;N,N-dimethylpropan-1-amine?
The canonical SMILES for 2-bromo-1,3-dimethylbenzene;N,N-dimethylpropan-1-amine is CCCN(C)C.Cc1cccc(C)c1Br.
What is the InChIKey of 2-bromo-1,3-dimethylbenzene;N,N-dimethylpropan-1-amine?
The InChIKey is KRURPMIPGHKPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br.C5H13N/c1-6-4-3-5-7(2)8(6)9;1-4-5-6(2)3/h3-5H,1-2H3;4-5H2,1-3H3.
What are the key properties of 2-bromo-1,3-dimethylbenzene;N,N-dimethylpropan-1-amine?
2-bromo-1,3-dimethylbenzene;N,N-dimethylpropan-1-amine has a molecular weight of 272.23 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-dimethylbenzene;N,N-dimethylpropan-1-amine is sourced from PubChem (CID 163375562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).