[3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine

C11H15Br2NO — CID 107741240

IUPAC[3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine
SMILESCC(C)COc1c(Br)cc(CN)cc1Br
InChIInChI=1S/C11H15Br2NO/c1-7(2)6-15-11-9(12)3-8(5-14)4-10(11)13/h3-4,7H,5-6,14H2,1-2H3
InChIKeyRSXPBWBTXGLAFU-UHFFFAOYSA-N
MW337.06 g/mol
LogP3.71
Rot. Bonds4

About [3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine

[3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine (PubChem CID 107741240) has the molecular formula C11H15Br2NO and a molecular weight of 337.06 g/mol. Its IUPAC name is [3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine
PubChem CID107741240
Molecular FormulaC11H15Br2NO
Molecular Weight337.06 g/mol
Exact Mass334.95
IUPAC Name[3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine
SMILESCC(C)COc1c(Br)cc(CN)cc1Br
InChIInChI=1S/C11H15Br2NO/c1-7(2)6-15-11-9(12)3-8(5-14)4-10(11)13/h3-4,7H,5-6,14H2,1-2H3
InChIKeyRSXPBWBTXGLAFU-UHFFFAOYSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.06
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dibromo-5-(chloromethyl)-2-(2-methylpropoxy)benzene
CID 107745281
[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
CID 79886822
(3,5-dibromo-4-propan-2-yloxyphenyl)methanamine
CID 107741402
(3,5-dibromo-4-propoxyphenyl)methanamine
CID 107741477
[3-bromo-5-ethoxy-4-(2-methoxypropoxy)phenyl]methanamine
CID 113382696
1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-butoxypropan-2-ol
CID 107741471
1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol
CID 107741378
[3,5-dibromo-4-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 107741554
[3-bromo-2-(2-methylpropoxy)phenyl]methanamine
CID 61389777
[3,5-dibromo-4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 107741450
1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-cyclopentylpropan-2-ol
CID 107741315
[3-bromo-4-(2-methylpropoxymethyl)phenyl]methanamine
CID 102772379

Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine?
The IUPAC name of [3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine (CID 107741240) is [3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine.
What is the SMILES notation for [3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine?
The canonical SMILES for [3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine is CC(C)COc1c(Br)cc(CN)cc1Br.
What is the InChIKey of [3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine?
The InChIKey is RSXPBWBTXGLAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO/c1-7(2)6-15-11-9(12)3-8(5-14)4-10(11)13/h3-4,7H,5-6,14H2,1-2H3.
What are the key properties of [3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine?
[3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine has a molecular weight of 337.06 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine is sourced from PubChem (CID 107741240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).