5-(5-bromo-2-methoxy-3,6-dimethylphenyl)-3-methylpentan-1-amine

C15H24BrNO — CID 113370313

IUPAC5-(5-bromo-2-methoxy-3,6-dimethylphenyl)-3-methylpentan-1-amine
SMILESCOc1c(C)cc(Br)c(C)c1CCC(C)CCN
InChIInChI=1S/C15H24BrNO/c1-10(7-8-17)5-6-13-12(3)14(16)9-11(2)15(13)18-4/h9-10H,5-8,17H2,1-4H3
InChIKeyUUMSYKMXJDLEGB-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.99
Rot. Bonds6

About 5-(5-bromo-2-methoxy-3,6-dimethylphenyl)-3-methylpentan-1-amine

5-(5-bromo-2-methoxy-3,6-dimethylphenyl)-3-methylpentan-1-amine (PubChem CID 113370313) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 5-(5-bromo-2-methoxy-3,6-dimethylphenyl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name5-(5-bromo-2-methoxy-3,6-dimethylphenyl)-3-methylpentan-1-amine
PubChem CID113370313
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name5-(5-bromo-2-methoxy-3,6-dimethylphenyl)-3-methylpentan-1-amine
SMILESCOc1c(C)cc(Br)c(C)c1CCC(C)CCN
InChIInChI=1S/C15H24BrNO/c1-10(7-8-17)5-6-13-12(3)14(16)9-11(2)15(13)18-4/h9-10H,5-8,17H2,1-4H3
InChIKeyUUMSYKMXJDLEGB-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-methoxy-3,6-dimethylphenyl)propanoic acid
CID 84814002
2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine
CID 117433026
5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine
CID 65301088
4-(2-bromo-6-methoxy-3,5-dimethylphenyl)butan-1-amine
CID 117461392
N-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202794
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115202568
N-(5-chloro-2-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine
CID 115202326
3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 84814417
4-(3-bromo-4-methoxy-5-methylphenyl)butan-1-amine
CID 117433058
3-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)propanal
CID 117481967
1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine
CID 116932790
2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol
CID 117400973

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-methoxy-3,6-dimethylphenyl)-3-methylpentan-1-amine?
The IUPAC name of 5-(5-bromo-2-methoxy-3,6-dimethylphenyl)-3-methylpentan-1-amine (CID 113370313) is 5-(5-bromo-2-methoxy-3,6-dimethylphenyl)-3-methylpentan-1-amine.
What is the SMILES notation for 5-(5-bromo-2-methoxy-3,6-dimethylphenyl)-3-methylpentan-1-amine?
The canonical SMILES for 5-(5-bromo-2-methoxy-3,6-dimethylphenyl)-3-methylpentan-1-amine is COc1c(C)cc(Br)c(C)c1CCC(C)CCN.
What is the InChIKey of 5-(5-bromo-2-methoxy-3,6-dimethylphenyl)-3-methylpentan-1-amine?
The InChIKey is UUMSYKMXJDLEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-10(7-8-17)5-6-13-12(3)14(16)9-11(2)15(13)18-4/h9-10H,5-8,17H2,1-4H3.
What are the key properties of 5-(5-bromo-2-methoxy-3,6-dimethylphenyl)-3-methylpentan-1-amine?
5-(5-bromo-2-methoxy-3,6-dimethylphenyl)-3-methylpentan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-methoxy-3,6-dimethylphenyl)-3-methylpentan-1-amine is sourced from PubChem (CID 113370313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).