1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine

C15H24BrNO — CID 65438768

IUPAC1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C15H24BrNO/c1-6-7-10(2)15(17-4)12-9-13(16)11(3)8-14(12)18-5/h8-10,15,17H,6-7H2,1-5H3
InChIKeyTXVWAUJNEZBUCL-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.46
Rot. Bonds6

About 1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine

1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine (PubChem CID 65438768) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine
PubChem CID65438768
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C15H24BrNO/c1-6-7-10(2)15(17-4)12-9-13(16)11(3)8-14(12)18-5/h8-10,15,17H,6-7H2,1-5H3
InChIKeyTXVWAUJNEZBUCL-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 104518936
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine
CID 65433149
1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 105056755
1-(4,5-dimethoxy-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949606
1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene
CID 65433776
N,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 43589022
1-(5-bromo-2-methoxy-4-methylphenyl)-N-propylpropan-1-amine
CID 65433156
1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine
CID 62303499
1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol
CID 65433754
[1-(4-bromo-2-methoxyphenyl)-2-methylpentyl]hydrazine
CID 107895859
1-(5-bromo-2-methoxy-4-methylphenyl)-N-ethylheptan-1-amine
CID 114752580
1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874508

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine?
The IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine (CID 65438768) is 1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine?
The canonical SMILES for 1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine is CCCC(C)C(NC)c1cc(Br)c(C)cc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine?
The InChIKey is TXVWAUJNEZBUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-6-7-10(2)15(17-4)12-9-13(16)11(3)8-14(12)18-5/h8-10,15,17H,6-7H2,1-5H3.
What are the key properties of 1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine?
1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 65438768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).