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

C15H24BrNO2 — CID 43775679

IUPACN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpentan-2-amine
SMILESCOc1cc(Br)c(CNC(C)CC(C)C)cc1OC
InChIInChI=1S/C15H24BrNO2/c1-10(2)6-11(3)17-9-12-7-14(18-4)15(19-5)8-13(12)16/h7-8,10-11,17H,6,9H2,1-5H3
InChIKeyCWXJSCZQWMGRCV-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.99
Rot. Bonds7

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

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpentan-2-amine (PubChem CID 43775679) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpentan-2-amine
PubChem CID43775679
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpentan-2-amine
SMILESCOc1cc(Br)c(CNC(C)CC(C)C)cc1OC
InChIInChI=1S/C15H24BrNO2/c1-10(2)6-11(3)17-9-12-7-14(18-4)15(19-5)8-13(12)16/h7-8,10-11,17H,6,9H2,1-5H3
InChIKeyCWXJSCZQWMGRCV-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

2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 61247141
N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43371768
2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 79254885
(2S)-2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]propanoic acid
CID 94212923
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methylbutan-1-amine
CID 43220432
(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine
CID 78950351
1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene
CID 138723532
(2R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]butan-1-ol
CID 51675513
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-pyridin-2-ylethanamine;hydrochloride
CID 47008250
(1S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403898
N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine
CID 976640
N-[[2-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 66535051

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpentan-2-amine?
The IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpentan-2-amine (CID 43775679) is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpentan-2-amine is COc1cc(Br)c(CNC(C)CC(C)C)cc1OC.
What is the InChIKey of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpentan-2-amine?
The InChIKey is CWXJSCZQWMGRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-10(2)6-11(3)17-9-12-7-14(18-4)15(19-5)8-13(12)16/h7-8,10-11,17H,6,9H2,1-5H3.
What are the key properties of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpentan-2-amine?
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-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-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpentan-2-amine is sourced from PubChem (CID 43775679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).