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

C10H12BrCl2N — CID 107859555

IUPAC1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
SMILESCC(CBr)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C10H12BrCl2N/c1-7(5-11)14-6-8-3-2-4-9(12)10(8)13/h2-4,7,14H,5-6H2,1H3
InChIKeyCUECKMLFYZOFFH-UHFFFAOYSA-N
MW297.02 g/mol
LogP3.87
Rot. Bonds4

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

1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine (PubChem CID 107859555) has the molecular formula C10H12BrCl2N and a molecular weight of 297.02 g/mol. Its IUPAC name is 1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
PubChem CID107859555
Molecular FormulaC10H12BrCl2N
Molecular Weight297.02 g/mol
Exact Mass294.95
IUPAC Name1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
SMILESCC(CBr)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C10H12BrCl2N/c1-7(5-11)14-6-8-3-2-4-9(12)10(8)13/h2-4,7,14H,5-6H2,1H3
InChIKeyCUECKMLFYZOFFH-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.02
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine
CID 62733353
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 43677587
1-chloro-N-[(2,3-dichlorophenyl)methyl]-3-methylbutan-2-amine
CID 107310019
N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 63462744
(1S)-1-(4-bromophenyl)-N-[(2,3-dichlorophenyl)methyl]ethanamine
CID 81354018
4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol
CID 43746669
1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine
CID 107859698
1-bromo-N-[(2-fluorophenyl)methyl]propan-2-amine
CID 107859641
N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182757
(2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol
CID 40726436
1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine
CID 43432651
N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43080559

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine?
The IUPAC name of 1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine (CID 107859555) is 1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine?
The canonical SMILES for 1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine is CC(CBr)NCc1cccc(Cl)c1Cl.
What is the InChIKey of 1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine?
The InChIKey is CUECKMLFYZOFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrCl2N/c1-7(5-11)14-6-8-3-2-4-9(12)10(8)13/h2-4,7,14H,5-6H2,1H3.
What are the key properties of 1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine?
1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine has a molecular weight of 297.02 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 107859555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).