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

C15H24BrNO2 — CID 61463534

IUPACN-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methylpentan-2-amine
SMILESCCC(C)C(C)NCc1cc(Br)c(OC)c(OC)c1
InChIInChI=1S/C15H24BrNO2/c1-6-10(2)11(3)17-9-12-7-13(16)15(19-5)14(8-12)18-4/h7-8,10-11,17H,6,9H2,1-5H3
InChIKeyHLKCOPPKPHDDAU-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.99
Rot. Bonds7

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

N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methylpentan-2-amine (PubChem CID 61463534) 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]-3-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methylpentan-2-amine
PubChem CID61463534
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC NameN-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methylpentan-2-amine
SMILESCCC(C)C(C)NCc1cc(Br)c(OC)c(OC)c1
InChIInChI=1S/C15H24BrNO2/c1-6-10(2)11(3)17-9-12-7-13(16)15(19-5)14(8-12)18-4/h7-8,10-11,17H,6,9H2,1-5H3
InChIKeyHLKCOPPKPHDDAU-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]butan-2-amine
CID 40726497
3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-2-methylbutan-1-ol
CID 111448708
(2S)-2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]butan-1-ol
CID 40726282
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 43406310
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271022
3-[(3,5-dibromo-4-methoxyphenyl)methylamino]-2-methylbutan-1-ol
CID 113240691
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]octan-2-amine
CID 43220769
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569253
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103901641
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 63454431
(1S)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81390961
2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 43622919

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methylpentan-2-amine?
The IUPAC name of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methylpentan-2-amine (CID 61463534) is N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methylpentan-2-amine.
What is the SMILES notation for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methylpentan-2-amine?
The canonical SMILES for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methylpentan-2-amine is CCC(C)C(C)NCc1cc(Br)c(OC)c(OC)c1.
What is the InChIKey of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methylpentan-2-amine?
The InChIKey is HLKCOPPKPHDDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-6-10(2)11(3)17-9-12-7-13(16)15(19-5)14(8-12)18-4/h7-8,10-11,17H,6,9H2,1-5H3.
What are the key properties of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methylpentan-2-amine?
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methylpentan-2-amine has a molecular weight of 330.27 g/mol, XLogP of 3.99, 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]-3-methylpentan-2-amine is sourced from PubChem (CID 61463534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).