1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine

C14H20BrN — CID 104986986

IUPAC1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine
SMILESC=CCCCC(NC)c1ccc(Br)c(C)c1
InChIInChI=1S/C14H20BrN/c1-4-5-6-7-14(16-3)12-8-9-13(15)11(2)10-12/h4,8-10,14,16H,1,5-7H2,2-3H3
InChIKeyFXTJBYUKPPSCLZ-UHFFFAOYSA-N
MW282.23 g/mol
LogP4.37
Rot. Bonds6

About 1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine

1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine (PubChem CID 104986986) has the molecular formula C14H20BrN and a molecular weight of 282.23 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine
PubChem CID104986986
Molecular FormulaC14H20BrN
Molecular Weight282.23 g/mol
Exact Mass281.08
IUPAC Name1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine
SMILESC=CCCCC(NC)c1ccc(Br)c(C)c1
InChIInChI=1S/C14H20BrN/c1-4-5-6-7-14(16-3)12-8-9-13(15)11(2)10-12/h4,8-10,14,16H,1,5-7H2,2-3H3
InChIKeyFXTJBYUKPPSCLZ-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 54.37
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-3-methylphenyl)hex-5-en-1-amine
CID 104987126
1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine
CID 115837445
1-(4-bromo-3-methylphenyl)-4-methoxy-N-methylbutan-1-amine
CID 105055012
1-(3-bromo-4-chlorophenyl)-N-methyloct-7-en-1-amine
CID 107009594
1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine
CID 81491489
1-(4-bromo-3-chlorophenyl)-N-methylpent-4-en-1-amine
CID 104987729
1-(4-bromo-3-methylphenyl)oct-7-en-1-amine
CID 107012120
1-(2-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine
CID 107985039
N-methyl-1-(6-methyl-3-pyridinyl)hex-5-en-1-amine
CID 105153170
1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794186
1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine
CID 107945974
1-(4-bromo-3,5-dimethylphenyl)hex-5-enylhydrazine
CID 105279415

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine (CID 104986986) is 1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine is C=CCCCC(NC)c1ccc(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine?
The InChIKey is FXTJBYUKPPSCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-4-5-6-7-14(16-3)12-8-9-13(15)11(2)10-12/h4,8-10,14,16H,1,5-7H2,2-3H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine?
1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine has a molecular weight of 282.23 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine is sourced from PubChem (CID 104986986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).