N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine

C15H24BrNO2 — CID 64569253

IUPACN-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCOc1cc(CNCC(C)C(C)C)cc(Br)c1OC
InChIInChI=1S/C15H24BrNO2/c1-10(2)11(3)8-17-9-12-6-13(16)15(19-5)14(7-12)18-4/h6-7,10-11,17H,8-9H2,1-5H3
InChIKeyRDBWZYBXTJXXIA-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.85
Rot. Bonds7

About N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine

N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine (PubChem CID 64569253) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
PubChem CID64569253
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC NameN-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCOc1cc(CNCC(C)C(C)C)cc(Br)c1OC
InChIInChI=1S/C15H24BrNO2/c1-10(2)11(3)8-17-9-12-6-13(16)15(19-5)14(7-12)18-4/h6-7,10-11,17H,8-9H2,1-5H3
InChIKeyRDBWZYBXTJXXIA-UHFFFAOYSA-N
XLogP3.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569070
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 54917908
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methylpentan-2-amine
CID 61463534
N-[(3-bromo-4-butan-2-yloxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63055810
(2R)-1-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51996876
2-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]propan-1-amine
CID 115592571
(2S)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]butan-2-amine
CID 40726497
2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol
CID 107740831
1-(3-bromo-4,5-dimethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735823
N-[[3-bromo-4-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63057848
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271022
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-2-cyclopropylpropan-1-amine
CID 115592741

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine?
The IUPAC name of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine (CID 64569253) is N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine is COc1cc(CNCC(C)C(C)C)cc(Br)c1OC.
What is the InChIKey of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine?
The InChIKey is RDBWZYBXTJXXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-10(2)11(3)8-17-9-12-6-13(16)15(19-5)14(7-12)18-4/h6-7,10-11,17H,8-9H2,1-5H3.
What are the key properties of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine?
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine has a molecular weight of 330.27 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 64569253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).