3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine

C12H18BrN — CID 163375747

IUPAC3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine
SMILESCc1cccc(CCCN(C)C)c1Br
InChIInChI=1S/C12H18BrN/c1-10-6-4-7-11(12(10)13)8-5-9-14(2)3/h4,6-7H,5,8-9H2,1-3H3
InChIKeyOUUFPRNAZIDIAL-UHFFFAOYSA-N
MW256.19 g/mol
LogP3.25
Rot. Bonds4

About 3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine

3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine (PubChem CID 163375747) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine
PubChem CID163375747
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine
SMILESCc1cccc(CCCN(C)C)c1Br
InChIInChI=1S/C12H18BrN/c1-10-6-4-7-11(12(10)13)8-5-9-14(2)3/h4,6-7H,5,8-9H2,1-3H3
InChIKeyOUUFPRNAZIDIAL-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-12-(2-methylphenyl)dodecan-1-amine;hydrate
CID 173447859
2-bromo-1,3-dimethylbenzene;N,N-dimethylpropan-1-amine
CID 163375562
3-(2-bromo-3-methylphenyl)propanal
CID 117326157
3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866451
N,N-dimethyl-3-(3-methyl-2-pyrazol-1-ylphenyl)propan-1-amine
CID 170866716
N,N-dimethyl-3-(4-methylnaphthalen-1-yl)propan-1-amine
CID 170865366
3-[5-[3-(dimethylamino)propyl]-9,9-dimethylxanthen-4-yl]-N,N-dimethylpropan-1-amine
CID 101055302
3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine
CID 170865442
3-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]-N,N-dimethylpropan-1-amine
CID 137482894
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
N,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine
CID 170865869
2-bromo-1-(3-bromopropyl)-3-methoxybenzene
CID 119022579

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine (CID 163375747) is 3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine is Cc1cccc(CCCN(C)C)c1Br.
What is the InChIKey of 3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is OUUFPRNAZIDIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-10-6-4-7-11(12(10)13)8-5-9-14(2)3/h4,6-7H,5,8-9H2,1-3H3.
What are the key properties of 3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine?
3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 256.19 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 163375747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).