N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine

C16H15BrCl3N — CID 115851464

IUPACN-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)c(Cl)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15BrCl3N/c1-2-8-21-16(10-6-7-12(17)14(19)9-10)11-4-3-5-13(18)15(11)20/h3-7,9,16,21H,2,8H2,1H3
InChIKeyCZGPCWBUXRGEGT-UHFFFAOYSA-N
MW407.57 g/mol
LogP6.50
Rot. Bonds5

About N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine

N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine (PubChem CID 115851464) has the molecular formula C16H15BrCl3N and a molecular weight of 407.57 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
PubChem CID115851464
Molecular FormulaC16H15BrCl3N
Molecular Weight407.57 g/mol
Exact Mass404.95
IUPAC NameN-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)c(Cl)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15BrCl3N/c1-2-8-21-16(10-6-7-12(17)14(19)9-10)11-4-3-5-13(18)15(11)20/h3-7,9,16,21H,2,8H2,1H3
InChIKeyCZGPCWBUXRGEGT-UHFFFAOYSA-N
XLogP6.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.57
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851170
N-[(5-bromothiophen-3-yl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141905
[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 105301694
N-[(3-bromo-4-methylphenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851243
N-[(2,3-dichlorophenyl)-(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 115851242
N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]propan-1-amine
CID 43497591
N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62790171
N-[(2-bromo-3-methylphenyl)-(3-chloro-4-methylphenyl)methyl]propan-1-amine
CID 107985618
N-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 81290836
N-[(2-chloro-3-fluorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 115851234
N-[(4-bromo-3-chlorophenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006637
N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 115827211

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine (CID 115851464) is N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(Br)c(Cl)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine?
The InChIKey is CZGPCWBUXRGEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl3N/c1-2-8-21-16(10-6-7-12(17)14(19)9-10)11-4-3-5-13(18)15(11)20/h3-7,9,16,21H,2,8H2,1H3.
What are the key properties of N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine?
N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine has a molecular weight of 407.57 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 115851464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).