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

C11H15BrClN — CID 170866064

IUPAC3-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(Br)ccc1Cl
InChIInChI=1S/C11H15BrClN/c1-14(2)7-3-4-9-8-10(12)5-6-11(9)13/h5-6,8H,3-4,7H2,1-2H3
InChIKeyPYOSDMHJRPTZOK-UHFFFAOYSA-N
MW276.60 g/mol
LogP3.60
Rot. Bonds4

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

3-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine (PubChem CID 170866064) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is 3-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine
PubChem CID170866064
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC Name3-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(Br)ccc1Cl
InChIInChI=1S/C11H15BrClN/c1-14(2)7-3-4-9-8-10(12)5-6-11(9)13/h5-6,8H,3-4,7H2,1-2H3
InChIKeyPYOSDMHJRPTZOK-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-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866319
3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine
CID 114525429
3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866336
3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine
CID 170865442
3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866339
3-(2,4-dichlorophenyl)-N,N-dimethylpropan-1-amine
CID 69275794
3-N-[(5-bromo-2-chlorophenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 103792822
3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866451
N-(5-bromo-2-chlorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 62914885
4-bromo-2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol
CID 82981356
1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
CID 155822080
2-(5-bromo-2-chlorophenyl)ethoxy-tri(propan-2-yl)silane
CID 168914954

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine (CID 170866064) is 3-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1cc(Br)ccc1Cl.
What is the InChIKey of 3-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is PYOSDMHJRPTZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-14(2)7-3-4-9-8-10(12)5-6-11(9)13/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 3-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine?
3-(5-bromo-2-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-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).