1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine

C14H21Br2N — CID 107944978

IUPAC1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1ccc(Br)cc1Br
InChIInChI=1S/C14H21Br2N/c1-4-7-17-14(8-10(2)3)12-6-5-11(15)9-13(12)16/h5-6,9-10,14,17H,4,7-8H2,1-3H3
InChIKeyIWYBRWPAPVPAFT-UHFFFAOYSA-N
MW363.14 g/mol
LogP5.30
Rot. Bonds6

About 1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine

1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine (PubChem CID 107944978) has the molecular formula C14H21Br2N and a molecular weight of 363.14 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine
PubChem CID107944978
Molecular FormulaC14H21Br2N
Molecular Weight363.14 g/mol
Exact Mass361.00
IUPAC Name1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1ccc(Br)cc1Br
InChIInChI=1S/C14H21Br2N/c1-4-7-17-14(8-10(2)3)12-6-5-11(15)9-13(12)16/h5-6,9-10,14,17H,4,7-8H2,1-3H3
InChIKeyIWYBRWPAPVPAFT-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.14
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dibromophenyl)-N-propylheptan-1-amine
CID 107945392
N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107945969
N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107946176
N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107944998
N-[2-(5-bromo-2-pyridinyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107946720
N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107945453
N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 107945447
1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846083
N-[1-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 107950457
1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 43496303
1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine
CID 107945526
N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine
CID 107946084

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine (CID 107944978) is 1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)C)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine?
The InChIKey is IWYBRWPAPVPAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br2N/c1-4-7-17-14(8-10(2)3)12-6-5-11(15)9-13(12)16/h5-6,9-10,14,17H,4,7-8H2,1-3H3.
What are the key properties of 1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine?
1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine has a molecular weight of 363.14 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 107944978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).