1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine

C18H28BrN — CID 107011647

IUPAC1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)c1cc(Br)ccc1C
InChIInChI=1S/C18H28BrN/c1-4-6-7-8-9-10-18(20-13-5-2)17-14-16(19)12-11-15(17)3/h4,11-12,14,18,20H,1,5-10,13H2,2-3H3
InChIKeyASOAZLLWLKMCLV-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.93
Rot. Bonds10

About 1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine

1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine (PubChem CID 107011647) has the molecular formula C18H28BrN and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine
PubChem CID107011647
Molecular FormulaC18H28BrN
Molecular Weight338.33 g/mol
Exact Mass337.14
IUPAC Name1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)c1cc(Br)ccc1C
InChIInChI=1S/C18H28BrN/c1-4-6-7-8-9-10-18(20-13-5-2)17-14-16(19)12-11-15(17)3/h4,11-12,14,18,20H,1,5-10,13H2,2-3H3
InChIKeyASOAZLLWLKMCLV-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine
CID 107012011
1-(2-bromophenyl)-N-propyloct-7-en-1-amine
CID 107008962
1-(4-bromo-2,6-difluorophenyl)-N-propyloct-7-en-1-amine
CID 107011519
1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine
CID 107011930
1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine
CID 107011718
1-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine
CID 115833849
1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine
CID 115832820
1-(2,4-dibromophenyl)-N-propylheptan-1-amine
CID 107945392
1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine
CID 107011673
1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine
CID 104987124
1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine
CID 105153151
1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846083

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine (CID 107011647) is 1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine is C=CCCCCCC(NCCC)c1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine?
The InChIKey is ASOAZLLWLKMCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN/c1-4-6-7-8-9-10-18(20-13-5-2)17-14-16(19)12-11-15(17)3/h4,11-12,14,18,20H,1,5-10,13H2,2-3H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine?
1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine has a molecular weight of 338.33 g/mol, XLogP of 5.93, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine is sourced from PubChem (CID 107011647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).