3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine

C12H18BrNO — CID 170865219

IUPAC3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
SMILESCOc1ccc(CCCN(C)C)cc1Br
InChIInChI=1S/C12H18BrNO/c1-14(2)8-4-5-10-6-7-12(15-3)11(13)9-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyFCGJBIOZSBXOCW-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.95
Rot. Bonds5

About 3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine

3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine (PubChem CID 170865219) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
PubChem CID170865219
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
SMILESCOc1ccc(CCCN(C)C)cc1Br
InChIInChI=1S/C12H18BrNO/c1-14(2)8-4-5-10-6-7-12(15-3)11(13)9-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyFCGJBIOZSBXOCW-UHFFFAOYSA-N
XLogP2.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 64516496
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]ethanethiol
CID 115224072
4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine
CID 155593714
6-(3-bromo-4-methoxyphenyl)hexanoic acid
CID 43446926
methyl 3-[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]propanoate
CID 115232567
2-[2-(3-bromo-4-methoxyphenyl)ethyl]guanidine
CID 59851874
N'-[2-(3-bromo-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195398
3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 60740275
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865862
5-(3-bromo-4-methoxyphenyl)-N-ethylpentan-2-amine
CID 64504008
3-[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]butanoic acid
CID 117042265

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine (CID 170865219) is 3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine is COc1ccc(CCCN(C)C)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is FCGJBIOZSBXOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-14(2)8-4-5-10-6-7-12(15-3)11(13)9-10/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine?
3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170865219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).