(3-bromo-2-methoxyphenyl)methanamine;hydrochloride

C8H11BrClNO — CID 71755622

IUPAC(3-bromo-2-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1c(Br)cccc1CN.Cl
InChIInChI=1S/C8H10BrNO.ClH/c1-11-8-6(5-10)3-2-4-7(8)9;/h2-4H,5,10H2,1H3;1H
InChIKeySKMDIBQGWFWHGU-UHFFFAOYSA-N
MW252.54 g/mol
LogP2.34
Rot. Bonds2

About (3-bromo-2-methoxyphenyl)methanamine;hydrochloride

(3-bromo-2-methoxyphenyl)methanamine;hydrochloride (PubChem CID 71755622) has the molecular formula C8H11BrClNO and a molecular weight of 252.54 g/mol. Its IUPAC name is (3-bromo-2-methoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-bromo-2-methoxyphenyl)methanamine;hydrochloride
PubChem CID71755622
Molecular FormulaC8H11BrClNO
Molecular Weight252.54 g/mol
Exact Mass250.97
IUPAC Name(3-bromo-2-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1c(Br)cccc1CN.Cl
InChIInChI=1S/C8H10BrNO.ClH/c1-11-8-6(5-10)3-2-4-7(8)9;/h2-4H,5,10H2,1H3;1H
InChIKeySKMDIBQGWFWHGU-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.54
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-2-(2-methoxyethoxy)phenyl]methanamine
CID 61389790
1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine
CID 82623586
[3-bromo-2-(2-methylpropoxy)phenyl]methanamine
CID 61389777
1-bromo-2-methoxy-3-(nitrosomethyl)benzene
CID 88892699
(3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 91799383
1-(3-bromo-2-methoxyphenyl)propan-2-ol
CID 83675437
(3-bromo-2-decoxyphenyl)methanamine
CID 63500475
3-(aminomethyl)-6-bromo-2-methoxyphenol
CID 117335662
[3-bromo-2-(2-propan-2-yloxyethoxy)phenyl]methanamine
CID 61484994
[3-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112588134
3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride
CID 140688179
[3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine
CID 61389794

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (3-bromo-2-methoxyphenyl)methanamine;hydrochloride (CID 71755622) is (3-bromo-2-methoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (3-bromo-2-methoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (3-bromo-2-methoxyphenyl)methanamine;hydrochloride is COc1c(Br)cccc1CN.Cl.
What is the InChIKey of (3-bromo-2-methoxyphenyl)methanamine;hydrochloride?
The InChIKey is SKMDIBQGWFWHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO.ClH/c1-11-8-6(5-10)3-2-4-7(8)9;/h2-4H,5,10H2,1H3;1H.
What are the key properties of (3-bromo-2-methoxyphenyl)methanamine;hydrochloride?
(3-bromo-2-methoxyphenyl)methanamine;hydrochloride has a molecular weight of 252.54 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 71755622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).