1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine

C13H17BrClN — CID 107945974

IUPAC1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine
SMILESC=CCCCC(NC)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H17BrClN/c1-3-4-5-6-13(16-2)10-7-11(14)9-12(15)8-10/h3,7-9,13,16H,1,4-6H2,2H3
InChIKeyFZUZQWKZUABYAZ-UHFFFAOYSA-N
MW302.64 g/mol
LogP4.72
Rot. Bonds6

About 1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine

1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine (PubChem CID 107945974) has the molecular formula C13H17BrClN and a molecular weight of 302.64 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine
PubChem CID107945974
Molecular FormulaC13H17BrClN
Molecular Weight302.64 g/mol
Exact Mass301.02
IUPAC Name1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine
SMILESC=CCCCC(NC)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H17BrClN/c1-3-4-5-6-13(16-2)10-7-11(14)9-12(15)8-10/h3,7-9,13,16H,1,4-6H2,2H3
InChIKeyFZUZQWKZUABYAZ-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.64
LogP ≤ 54.72
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-(3-bromo-5-chlorophenyl)pent-4-enylhydrazine
CID 107948273
1-(3-bromo-5-chlorophenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 107945284
1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine
CID 81491489
1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine
CID 104986986
1-(3-bromo-4-chlorophenyl)-N-methyloct-7-en-1-amine
CID 107009594
1-(3-bromo-5-chlorophenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 107946066
1-(3-bromo-5-chlorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 107945200
1-(3-bromo-5-chlorophenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 107946370
1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine
CID 107012101
1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine
CID 107011509
1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine
CID 107011343
1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine
CID 114019196

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine (CID 107945974) is 1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine is C=CCCCC(NC)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine?
The InChIKey is FZUZQWKZUABYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN/c1-3-4-5-6-13(16-2)10-7-11(14)9-12(15)8-10/h3,7-9,13,16H,1,4-6H2,2H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine?
1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine has a molecular weight of 302.64 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine is sourced from PubChem (CID 107945974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).