1-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine

C15H24BrN — CID 115833849

IUPAC1-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1cc(Br)ccc1C
InChIInChI=1S/C15H24BrN/c1-4-5-6-7-8-15(17-3)14-11-13(16)10-9-12(14)2/h9-11,15,17H,4-8H2,1-3H3
InChIKeyDDDFNHDWUWWWJV-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.99
Rot. Bonds7

About 1-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine

1-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine (PubChem CID 115833849) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine
PubChem CID115833849
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name1-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1cc(Br)ccc1C
InChIInChI=1S/C15H24BrN/c1-4-5-6-7-8-15(17-3)14-11-13(16)10-9-12(14)2/h9-11,15,17H,4-8H2,1-3H3
InChIKeyDDDFNHDWUWWWJV-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine
CID 115831324
1-(5-bromo-2-chlorophenyl)-N-methylundecan-1-amine
CID 115846020
1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine
CID 115845912
1-(5-chloro-2-methylphenyl)-N-methylnonan-1-amine
CID 115835500
1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine
CID 65448568
1-(4-bromo-2-chlorophenyl)-N-methylundecan-1-amine
CID 115845773
1-(5-bromo-2-methylphenyl)octan-1-ol
CID 115783049
1-(5-bromo-2-methylphenyl)decan-1-ol
CID 115782829
1-(2,5-dimethylphenyl)-N-methylpentan-1-amine
CID 43483753
1-(2,5-dibromo-4-methylphenyl)-N-methyloctan-1-amine
CID 81473844
1-(2,5-dibromo-4-methylphenyl)-N-methyldecan-1-amine
CID 81473717
(1R)-1-(5-bromo-2-methylphenyl)hexan-1-amine;hydrochloride
CID 171203851

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine (CID 115833849) is 1-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine is CCCCCCC(NC)c1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine?
The InChIKey is DDDFNHDWUWWWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-4-5-6-7-8-15(17-3)14-11-13(16)10-9-12(14)2/h9-11,15,17H,4-8H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine?
1-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine has a molecular weight of 298.27 g/mol, XLogP of 4.99, 7 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-methylheptan-1-amine is sourced from PubChem (CID 115833849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).