(4-bromo-2-chloro-5-methoxyphenyl)methanamine

C8H9BrClNO — CID 83900433

IUPAC(4-bromo-2-chloro-5-methoxyphenyl)methanamine
SMILESCOc1cc(CN)c(Cl)cc1Br
InChIInChI=1S/C8H9BrClNO/c1-12-8-2-5(4-11)7(10)3-6(8)9/h2-3H,4,11H2,1H3
InChIKeyAGBHGXCPDFFVBT-UHFFFAOYSA-N
MW250.52 g/mol
LogP2.57
Rot. Bonds2

About (4-bromo-2-chloro-5-methoxyphenyl)methanamine

(4-bromo-2-chloro-5-methoxyphenyl)methanamine (PubChem CID 83900433) has the molecular formula C8H9BrClNO and a molecular weight of 250.52 g/mol. Its IUPAC name is (4-bromo-2-chloro-5-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-chloro-5-methoxyphenyl)methanamine
PubChem CID83900433
Molecular FormulaC8H9BrClNO
Molecular Weight250.52 g/mol
Exact Mass248.96
IUPAC Name(4-bromo-2-chloro-5-methoxyphenyl)methanamine
SMILESCOc1cc(CN)c(Cl)cc1Br
InChIInChI=1S/C8H9BrClNO/c1-12-8-2-5(4-11)7(10)3-6(8)9/h2-3H,4,11H2,1H3
InChIKeyAGBHGXCPDFFVBT-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chloro-5-methoxyphenyl)acetaldehyde
CID 83902189
1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851
(2-chloro-4-methoxy-5-methylphenyl)methanamine
CID 57458151
(2-chloro-5-iodo-4-methoxyphenyl)methanamine
CID 171021193
[4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine
CID 105350062
(5-chloro-4-iodo-2-methoxyphenyl)methanamine
CID 86775733
[2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171020934
1-(5-bromo-2-chloro-4-methoxyphenyl)propan-2-ol
CID 117448579
(5-bromo-6-methoxy-1H-indol-3-yl)methanamine
CID 83901054
[2-(2-chloro-4,5-difluorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 107476915
2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone
CID 84714845
(5-bromo-4-iodo-2-methoxyphenyl)methanamine
CID 171018559

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chloro-5-methoxyphenyl)methanamine?
The IUPAC name of (4-bromo-2-chloro-5-methoxyphenyl)methanamine (CID 83900433) is (4-bromo-2-chloro-5-methoxyphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-chloro-5-methoxyphenyl)methanamine?
The canonical SMILES for (4-bromo-2-chloro-5-methoxyphenyl)methanamine is COc1cc(CN)c(Cl)cc1Br.
What is the InChIKey of (4-bromo-2-chloro-5-methoxyphenyl)methanamine?
The InChIKey is AGBHGXCPDFFVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO/c1-12-8-2-5(4-11)7(10)3-6(8)9/h2-3H,4,11H2,1H3.
What are the key properties of (4-bromo-2-chloro-5-methoxyphenyl)methanamine?
(4-bromo-2-chloro-5-methoxyphenyl)methanamine has a molecular weight of 250.52 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chloro-5-methoxyphenyl)methanamine is sourced from PubChem (CID 83900433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).