1-bromo-N-[(2,3-dichlorophenyl)methyl]-N-methylpropan-2-amine

C11H14BrCl2N — CID 107310059

IUPAC1-bromo-N-[(2,3-dichlorophenyl)methyl]-N-methylpropan-2-amine
SMILESCC(CBr)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C11H14BrCl2N/c1-8(6-12)15(2)7-9-4-3-5-10(13)11(9)14/h3-5,8H,6-7H2,1-2H3
InChIKeySOTLTWYGPMKRKE-UHFFFAOYSA-N
MW311.05 g/mol
LogP4.21
Rot. Bonds4

About 1-bromo-N-[(2,3-dichlorophenyl)methyl]-N-methylpropan-2-amine

1-bromo-N-[(2,3-dichlorophenyl)methyl]-N-methylpropan-2-amine (PubChem CID 107310059) has the molecular formula C11H14BrCl2N and a molecular weight of 311.05 g/mol. Its IUPAC name is 1-bromo-N-[(2,3-dichlorophenyl)methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-bromo-N-[(2,3-dichlorophenyl)methyl]-N-methylpropan-2-amine
PubChem CID107310059
Molecular FormulaC11H14BrCl2N
Molecular Weight311.05 g/mol
Exact Mass308.97
IUPAC Name1-bromo-N-[(2,3-dichlorophenyl)methyl]-N-methylpropan-2-amine
SMILESCC(CBr)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C11H14BrCl2N/c1-8(6-12)15(2)7-9-4-3-5-10(13)11(9)14/h3-5,8H,6-7H2,1-2H3
InChIKeySOTLTWYGPMKRKE-UHFFFAOYSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.05
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 107310022
1-bromo-N-[(2-bromo-3-fluorophenyl)methyl]-N-methylpropan-2-amine
CID 104554874
1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 107859555
2-[(3-chloro-2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 102848138
N-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 42911455
2-[(2,3-dichlorophenyl)methyl-methylamino]-2-phenylacetamide
CID 24584549
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide
CID 46697394
(2R)-N-(tert-butylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 40761168
3-[(2,3-dichlorophenyl)methyl-ethylamino]butanoic acid
CID 65060850
2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 62411724
N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide
CID 103600531

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[(2,3-dichlorophenyl)methyl]-N-methylpropan-2-amine?
The IUPAC name of 1-bromo-N-[(2,3-dichlorophenyl)methyl]-N-methylpropan-2-amine (CID 107310059) is 1-bromo-N-[(2,3-dichlorophenyl)methyl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-bromo-N-[(2,3-dichlorophenyl)methyl]-N-methylpropan-2-amine?
The canonical SMILES for 1-bromo-N-[(2,3-dichlorophenyl)methyl]-N-methylpropan-2-amine is CC(CBr)N(C)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-bromo-N-[(2,3-dichlorophenyl)methyl]-N-methylpropan-2-amine?
The InChIKey is SOTLTWYGPMKRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl2N/c1-8(6-12)15(2)7-9-4-3-5-10(13)11(9)14/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 1-bromo-N-[(2,3-dichlorophenyl)methyl]-N-methylpropan-2-amine?
1-bromo-N-[(2,3-dichlorophenyl)methyl]-N-methylpropan-2-amine has a molecular weight of 311.05 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[(2,3-dichlorophenyl)methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 107310059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).