2-bromo-N-methyl-N-propan-2-ylaniline

C10H14BrN — CID 53401387

IUPAC2-bromo-N-methyl-N-propan-2-ylaniline
SMILESCC(C)N(C)c1ccccc1Br
InChIInChI=1S/C10H14BrN/c1-8(2)12(3)10-7-5-4-6-9(10)11/h4-8H,1-3H3
InChIKeyQWFZLPCCMVNBCM-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.29
Rot. Bonds2

About 2-bromo-N-methyl-N-propan-2-ylaniline

2-bromo-N-methyl-N-propan-2-ylaniline (PubChem CID 53401387) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-bromo-N-methyl-N-propan-2-ylaniline
PubChem CID53401387
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name2-bromo-N-methyl-N-propan-2-ylaniline
SMILESCC(C)N(C)c1ccccc1Br
InChIInChI=1S/C10H14BrN/c1-8(2)12(3)10-7-5-4-6-9(10)11/h4-8H,1-3H3
InChIKeyQWFZLPCCMVNBCM-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine
CID 82021054
2-bromo-N-methyl-N-(2-methylpropyl)aniline
CID 11149184
2-(chloromethyl)-N-methyl-N-propan-2-ylaniline
CID 28946352
N-(2-bromophenyl)-N-methylhydroxylamine
CID 58554811
3-(2-bromo-N-methylanilino)butanenitrile
CID 82119794
1-(2-bromo-N-methylanilino)propan-2-ol
CID 82117993
N'-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine
CID 83543223
N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine
CID 117044248
3-bromo-N,N,2-trimethylaniline
CID 107640986
2-(2-bromo-N-methylanilino)butanedioic acid
CID 115144355
3-amino-N-(2-bromophenyl)-N-methylbutanamide
CID 115154147
N'-(2-bromophenyl)-N,N'-dimethylmethanediamine
CID 115226768

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-propan-2-ylaniline?
The IUPAC name of 2-bromo-N-methyl-N-propan-2-ylaniline (CID 53401387) is 2-bromo-N-methyl-N-propan-2-ylaniline.
What is the SMILES notation for 2-bromo-N-methyl-N-propan-2-ylaniline?
The canonical SMILES for 2-bromo-N-methyl-N-propan-2-ylaniline is CC(C)N(C)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-methyl-N-propan-2-ylaniline?
The InChIKey is QWFZLPCCMVNBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-8(2)12(3)10-7-5-4-6-9(10)11/h4-8H,1-3H3.
What are the key properties of 2-bromo-N-methyl-N-propan-2-ylaniline?
2-bromo-N-methyl-N-propan-2-ylaniline has a molecular weight of 228.13 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-propan-2-ylaniline is sourced from PubChem (CID 53401387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).