3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine

C11H15BrClN — CID 170865442

IUPAC3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(Cl)ccc1Br
InChIInChI=1S/C11H15BrClN/c1-14(2)7-3-4-9-8-10(13)5-6-11(9)12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyMVTLHFJQFRBMGI-UHFFFAOYSA-N
MW276.60 g/mol
LogP3.60
Rot. Bonds4

About 3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine

3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine (PubChem CID 170865442) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is 3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine
PubChem CID170865442
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC Name3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(Cl)ccc1Br
InChIInChI=1S/C11H15BrClN/c1-14(2)7-3-4-9-8-10(13)5-6-11(9)12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyMVTLHFJQFRBMGI-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dichlorophenyl)-N,N-dimethylpropan-1-amine
CID 69275794
3-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine
CID 170866064
3-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866403
1-bromo-2-(bromomethyl)-4-chlorobenzene
CID 11846505
3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866336
3-(2-bromo-5-chloro-1-benzothiophen-3-yl)-N,N-dimethylpropan-1-amine
CID 170866860
4-bromo-3-[2-(dimethylamino)ethyl]aniline
CID 70451093
N-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 81495683
3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine
CID 163375747
1-N-[(2-bromo-5-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 66159282
3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866415
N-[2-(2-bromo-5-chlorophenyl)ethyl]methanesulfonamide
CID 122140732

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine (CID 170865442) is 3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1cc(Cl)ccc1Br.
What is the InChIKey of 3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is MVTLHFJQFRBMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-14(2)7-3-4-9-8-10(13)5-6-11(9)12/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine?
3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 276.60 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170865442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).