1-(2-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine

C14H20BrN — CID 107985039

IUPAC1-(2-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine
SMILESC=CCCCC(NC)c1cccc(C)c1Br
InChIInChI=1S/C14H20BrN/c1-4-5-6-10-13(16-3)12-9-7-8-11(2)14(12)15/h4,7-9,13,16H,1,5-6,10H2,2-3H3
InChIKeyGBXIVWRVUYKVAO-UHFFFAOYSA-N
MW282.23 g/mol
LogP4.37
Rot. Bonds6

About 1-(2-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine

1-(2-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine (PubChem CID 107985039) has the molecular formula C14H20BrN and a molecular weight of 282.23 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine
PubChem CID107985039
Molecular FormulaC14H20BrN
Molecular Weight282.23 g/mol
Exact Mass281.08
IUPAC Name1-(2-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine
SMILESC=CCCCC(NC)c1cccc(C)c1Br
InChIInChI=1S/C14H20BrN/c1-4-5-6-10-13(16-3)12-9-7-8-11(2)14(12)15/h4,7-9,13,16H,1,5-6,10H2,2-3H3
InChIKeyGBXIVWRVUYKVAO-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-(3-chloro-2-methylphenyl)-N-methylhex-5-en-1-amine
CID 107102445
1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine
CID 104986986
1-(3-bromo-2-methylphenyl)-N-methylpent-4-en-1-amine
CID 104987320
N-methyl-1-quinolin-5-ylhex-5-en-1-amine
CID 105153263
1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine
CID 104987124
1-(2,3-dimethylphenyl)-N-methylpentan-1-amine
CID 79405236
1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 114024223
1-(2-bromo-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 107982906
1-(2-bromo-3-methylphenyl)-N-ethylheptan-1-amine
CID 114024193
1-(2-bromo-3-methylphenyl)-N-propylhexan-1-amine
CID 114024195
1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine
CID 104987321
1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine
CID 107011343

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine (CID 107985039) is 1-(2-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine is C=CCCCC(NC)c1cccc(C)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine?
The InChIKey is GBXIVWRVUYKVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-4-5-6-10-13(16-3)12-9-7-8-11(2)14(12)15/h4,7-9,13,16H,1,5-6,10H2,2-3H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine?
1-(2-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-(2-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine is sourced from PubChem (CID 107985039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).