(3,5-dibromo-4-propan-2-yloxyphenyl)methanamine

C10H13Br2NO — CID 107741402

IUPAC(3,5-dibromo-4-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1c(Br)cc(CN)cc1Br
InChIInChI=1S/C10H13Br2NO/c1-6(2)14-10-8(11)3-7(5-13)4-9(10)12/h3-4,6H,5,13H2,1-2H3
InChIKeyVQZCPZLQBGYKPH-UHFFFAOYSA-N
MW323.03 g/mol
LogP3.46
Rot. Bonds3

About (3,5-dibromo-4-propan-2-yloxyphenyl)methanamine

(3,5-dibromo-4-propan-2-yloxyphenyl)methanamine (PubChem CID 107741402) has the molecular formula C10H13Br2NO and a molecular weight of 323.03 g/mol. Its IUPAC name is (3,5-dibromo-4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(3,5-dibromo-4-propan-2-yloxyphenyl)methanamine
PubChem CID107741402
Molecular FormulaC10H13Br2NO
Molecular Weight323.03 g/mol
Exact Mass320.94
IUPAC Name(3,5-dibromo-4-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1c(Br)cc(CN)cc1Br
InChIInChI=1S/C10H13Br2NO/c1-6(2)14-10-8(11)3-7(5-13)4-9(10)12/h3-4,6H,5,13H2,1-2H3
InChIKeyVQZCPZLQBGYKPH-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.03
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine
CID 107741240
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-pentan-3-ylpropanamide
CID 107741417
[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine
CID 43622273
(3,5-dibromo-4-propoxyphenyl)methanamine
CID 107741477
2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine
CID 107739581
1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol
CID 107741378
3,5-dibromo-4-propan-2-yloxybenzoic acid
CID 67041563
[3-bromo-5-ethoxy-4-(2-methoxypropoxy)phenyl]methanamine
CID 113382696
[3,5-dibromo-4-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 107741554
2-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)acetate
CID 7139453
(3-bromo-4-propan-2-ylphenyl)methanamine
CID 83840012
[3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine
CID 107741276

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (3,5-dibromo-4-propan-2-yloxyphenyl)methanamine (CID 107741402) is (3,5-dibromo-4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (3,5-dibromo-4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (3,5-dibromo-4-propan-2-yloxyphenyl)methanamine is CC(C)Oc1c(Br)cc(CN)cc1Br.
What is the InChIKey of (3,5-dibromo-4-propan-2-yloxyphenyl)methanamine?
The InChIKey is VQZCPZLQBGYKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO/c1-6(2)14-10-8(11)3-7(5-13)4-9(10)12/h3-4,6H,5,13H2,1-2H3.
What are the key properties of (3,5-dibromo-4-propan-2-yloxyphenyl)methanamine?
(3,5-dibromo-4-propan-2-yloxyphenyl)methanamine has a molecular weight of 323.03 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 107741402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).