1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine

C16H24BrN — CID 105039445

IUPAC1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1ccc(Br)cc1C
InChIInChI=1S/C16H24BrN/c1-5-10-18-16(9-6-12(2)3)15-8-7-14(17)11-13(15)4/h7-8,11,16,18H,2,5-6,9-10H2,1,3-4H3
InChIKeyZAIRZVYROKKCIA-UHFFFAOYSA-N
MW310.28 g/mol
LogP5.15
Rot. Bonds7

About 1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine

1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine (PubChem CID 105039445) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
PubChem CID105039445
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1ccc(Br)cc1C
InChIInChI=1S/C16H24BrN/c1-5-10-18-16(9-6-12(2)3)15-8-7-14(17)11-13(15)4/h7-8,11,16,18H,2,5-6,9-10H2,1,3-4H3
InChIKeyZAIRZVYROKKCIA-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.28
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114906796
1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine
CID 115832820
1-(4-bromo-2-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024035
1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039435
1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114028358
N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63526553
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methyl-N-propylbut-3-en-1-amine
CID 79177611
1-(2,5-dibromophenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105003992
1-(4-bromo-2-methylphenyl)-N-propylprop-2-en-1-amine
CID 105000814
1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039592
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474078
N-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029326

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine (CID 105039445) is 1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine is C=C(C)CCC(NCCC)c1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine?
The InChIKey is ZAIRZVYROKKCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-5-10-18-16(9-6-12(2)3)15-8-7-14(17)11-13(15)4/h7-8,11,16,18H,2,5-6,9-10H2,1,3-4H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine?
1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine has a molecular weight of 310.28 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine is sourced from PubChem (CID 105039445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).