1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine

C13H19BrClN — CID 115567963

IUPAC1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(Cl)c(Br)c1)C(C)C
InChIInChI=1S/C13H19BrClN/c1-4-7-16-13(9(2)3)10-5-6-12(15)11(14)8-10/h5-6,8-9,13,16H,4,7H2,1-3H3
InChIKeyAKSCPUFKDVTLNZ-UHFFFAOYSA-N
MW304.66 g/mol
LogP4.80
Rot. Bonds5

About 1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine

1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine (PubChem CID 115567963) has the molecular formula C13H19BrClN and a molecular weight of 304.66 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine
PubChem CID115567963
Molecular FormulaC13H19BrClN
Molecular Weight304.66 g/mol
Exact Mass303.04
IUPAC Name1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(Cl)c(Br)c1)C(C)C
InChIInChI=1S/C13H19BrClN/c1-4-7-16-13(9(2)3)10-5-6-12(15)11(14)8-10/h5-6,8-9,13,16H,4,7H2,1-3H3
InChIKeyAKSCPUFKDVTLNZ-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine
CID 114978573
1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine
CID 115567747
1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine
CID 43497568
1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 114978904
1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 105399130
N-[(3-bromo-4-chlorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105395392
N-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine
CID 115567839
N-[(3-bromo-4-chlorophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115567849
1-(3-bromo-4-chlorophenyl)-N-ethylbutan-1-amine
CID 115567637
1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine
CID 115567795
N-[(3-bromo-4-chlorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115567999
N-[(3-bromo-4-chlorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine
CID 107998718

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine (CID 115567963) is 1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine is CCCNC(c1ccc(Cl)c(Br)c1)C(C)C.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is AKSCPUFKDVTLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClN/c1-4-7-16-13(9(2)3)10-5-6-12(15)11(14)8-10/h5-6,8-9,13,16H,4,7H2,1-3H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine?
1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 304.66 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 115567963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).