N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine

C12H17Br2NO — CID 4715898

IUPACN-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCOc1c(Br)cc(Br)cc1CNC(C)(C)C
InChIInChI=1S/C12H17Br2NO/c1-12(2,3)15-7-8-5-9(13)6-10(14)11(8)16-4/h5-6,15H,7H2,1-4H3
InChIKeyPMXBHSSZXAZQDW-UHFFFAOYSA-N
MW351.08 g/mol
LogP4.11
Rot. Bonds3

About N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine

N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 4715898) has the molecular formula C12H17Br2NO and a molecular weight of 351.08 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
PubChem CID4715898
Molecular FormulaC12H17Br2NO
Molecular Weight351.08 g/mol
Exact Mass348.97
IUPAC NameN-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCOc1c(Br)cc(Br)cc1CNC(C)(C)C
InChIInChI=1S/C12H17Br2NO/c1-12(2,3)15-7-8-5-9(13)6-10(14)11(8)16-4/h5-6,15H,7H2,1-4H3
InChIKeyPMXBHSSZXAZQDW-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.08
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850641
3-[(3,5-dibromo-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 115655918
2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 63425377
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331469
N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine
CID 4719896
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17290053
5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 63456231
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine
CID 115405637
3-[(3,5-dibromo-2-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 106349099
2-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]propan-2-amine
CID 63501413
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17290026
2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 43763039

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine (CID 4715898) is N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine is COc1c(Br)cc(Br)cc1CNC(C)(C)C.
What is the InChIKey of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is PMXBHSSZXAZQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO/c1-12(2,3)15-7-8-5-9(13)6-10(14)11(8)16-4/h5-6,15H,7H2,1-4H3.
What are the key properties of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine?
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 351.08 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 4715898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).