(3-bromo-4-methoxyphenyl)methanamine

C8H10BrNO — CID 22026276

IUPAC(3-bromo-4-methoxyphenyl)methanamine
SMILESCOc1ccc(CN)cc1Br
InChIInChI=1S/C8H10BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,5,10H2,1H3
InChIKeyPZYWNKFZCOGPJX-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.92
Rot. Bonds2

About (3-bromo-4-methoxyphenyl)methanamine

(3-bromo-4-methoxyphenyl)methanamine (PubChem CID 22026276) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)methanamine
PubChem CID22026276
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name(3-bromo-4-methoxyphenyl)methanamine
SMILESCOc1ccc(CN)cc1Br
InChIInChI=1S/C8H10BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,5,10H2,1H3
InChIKeyPZYWNKFZCOGPJX-UHFFFAOYSA-N
XLogP1.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
[3-bromo-4-(trideuteriomethoxy)phenyl]methanamine
CID 155798142
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine
CID 158549441
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
[3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine
CID 105407420
N'-[2-(3-bromo-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195398
5-(aminomethyl)-2-methoxyphenol
CID 1132998
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855
2-[(3-bromo-4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 62725314
(3-bromo-4-pentoxyphenyl)methanamine
CID 63047212
1-(3-bromo-4-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261861

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)methanamine?
The IUPAC name of (3-bromo-4-methoxyphenyl)methanamine (CID 22026276) is (3-bromo-4-methoxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)methanamine?
The canonical SMILES for (3-bromo-4-methoxyphenyl)methanamine is COc1ccc(CN)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)methanamine?
The InChIKey is PZYWNKFZCOGPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,5,10H2,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)methanamine?
(3-bromo-4-methoxyphenyl)methanamine has a molecular weight of 216.08 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)methanamine is sourced from PubChem (CID 22026276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).