(3-bromo-5-methoxyphenyl)methanamine

C8H10BrNO — CID 53414441

IUPAC(3-bromo-5-methoxyphenyl)methanamine
SMILESCOc1cc(Br)cc(CN)c1
InChIInChI=1S/C8H10BrNO/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4H,5,10H2,1H3
InChIKeyDFTOTOJXAAJQNO-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.92
Rot. Bonds2

About (3-bromo-5-methoxyphenyl)methanamine

(3-bromo-5-methoxyphenyl)methanamine (PubChem CID 53414441) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is (3-bromo-5-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methoxyphenyl)methanamine
PubChem CID53414441
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name(3-bromo-5-methoxyphenyl)methanamine
SMILESCOc1cc(Br)cc(CN)c1
InChIInChI=1S/C8H10BrNO/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4H,5,10H2,1H3
InChIKeyDFTOTOJXAAJQNO-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

1-bromo-3-(isocyanomethyl)-5-methoxybenzene
CID 164810568
(3-chloro-5-methoxyphenyl)methanamine
CID 51063718
[3-bromo-5-(3-methoxy-3-methylbutoxy)phenyl]methanamine
CID 106664811
[3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine
CID 102814623
[3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine
CID 102814717
[3-bromo-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanamine
CID 102814582
[3-bromo-5-(4-methylpentoxy)phenyl]methanamine
CID 102814559
[3-bromo-5-(2-propan-2-yloxyethoxy)phenyl]methanamine
CID 102814524
1-[3-(aminomethyl)-5-bromophenoxy]-N,N,2-trimethylpropan-2-amine
CID 102814709
[3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine
CID 103566052
[3-bromo-5-(2-butoxyethoxy)phenyl]methanamine
CID 102814553
[3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine
CID 103566053

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methoxyphenyl)methanamine?
The IUPAC name of (3-bromo-5-methoxyphenyl)methanamine (CID 53414441) is (3-bromo-5-methoxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-5-methoxyphenyl)methanamine?
The canonical SMILES for (3-bromo-5-methoxyphenyl)methanamine is COc1cc(Br)cc(CN)c1.
What is the InChIKey of (3-bromo-5-methoxyphenyl)methanamine?
The InChIKey is DFTOTOJXAAJQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4H,5,10H2,1H3.
What are the key properties of (3-bromo-5-methoxyphenyl)methanamine?
(3-bromo-5-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-5-methoxyphenyl)methanamine is sourced from PubChem (CID 53414441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).