1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine

C15H21BrClN — CID 107011343

IUPAC1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine
SMILESC=CCCCCCC(NC)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H21BrClN/c1-3-4-5-6-7-8-15(18-2)13-10-9-12(16)11-14(13)17/h3,9-11,15,18H,1,4-8H2,2H3
InChIKeyLYZZAFLNOVRIPK-UHFFFAOYSA-N
MW330.70 g/mol
LogP5.50
Rot. Bonds8

About 1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine

1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine (PubChem CID 107011343) has the molecular formula C15H21BrClN and a molecular weight of 330.70 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine
PubChem CID107011343
Molecular FormulaC15H21BrClN
Molecular Weight330.70 g/mol
Exact Mass329.05
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine
SMILESC=CCCCCCC(NC)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H21BrClN/c1-3-4-5-6-7-8-15(18-2)13-10-9-12(16)11-14(13)17/h3,9-11,15,18H,1,4-8H2,2H3
InChIKeyLYZZAFLNOVRIPK-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.70
LogP ≤ 55.50
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-(4-bromo-2-chlorophenyl)-N-methylundecan-1-amine
CID 115845773
1-(3-bromo-4-chlorophenyl)-N-methyloct-7-en-1-amine
CID 107009594
1-(2,5-dibromothiophen-3-yl)-N-methyloct-7-en-1-amine
CID 114022243
1-(5-bromo-2-chlorophenyl)-N-methylundecan-1-amine
CID 115846020
1-(5-bromo-2-pyridinyl)-N-methyloct-7-en-1-amine
CID 107009654
1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine
CID 107011816
1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine
CID 107012101
1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine
CID 107012011
1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine
CID 107012919
1-(4-bromo-2-chlorophenyl)but-3-enylhydrazine
CID 105289666
1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine
CID 114894774
1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine
CID 107011647

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine (CID 107011343) is 1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine is C=CCCCCCC(NC)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine?
The InChIKey is LYZZAFLNOVRIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN/c1-3-4-5-6-7-8-15(18-2)13-10-9-12(16)11-14(13)17/h3,9-11,15,18H,1,4-8H2,2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine?
1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine has a molecular weight of 330.70 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine is sourced from PubChem (CID 107011343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).