(2-bromophenoxy)methanamine

C7H8BrNO — CID 57278354

IUPAC(2-bromophenoxy)methanamine
SMILESNCOc1ccccc1Br
InChIInChI=1S/C7H8BrNO/c8-6-3-1-2-4-7(6)10-5-9/h1-4H,5,9H2
InChIKeyJHSVEZAIVKLXMN-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.74
Rot. Bonds2

About (2-bromophenoxy)methanamine

(2-bromophenoxy)methanamine (PubChem CID 57278354) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is (2-bromophenoxy)methanamine.

Molecular Properties

Compound Name(2-bromophenoxy)methanamine
PubChem CID57278354
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name(2-bromophenoxy)methanamine
SMILESNCOc1ccccc1Br
InChIInChI=1S/C7H8BrNO/c8-6-3-1-2-4-7(6)10-5-9/h1-4H,5,9H2
InChIKeyJHSVEZAIVKLXMN-UHFFFAOYSA-N
XLogP1.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromophenoxy)-2,2-dimethylpropan-1-amine
CID 79018649
(2-bromophenoxy)methyl-trifluoro-λ4-sulfane
CID 175094487
1-bromo-2-(3-chloropropoxy)benzene
CID 22048648
3-(2-bromophenoxy)-2-phenylpropan-1-amine
CID 117242959
N'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride
CID 69275255
3-(2-bromophenoxy)propylhydrazine
CID 94688539
1-bromo-2-(methoxymethoxy)benzene;ethane
CID 91232598
1-bromo-2-(2-bromophenoxy)benzene
CID 3465096
[4-[3-(2-bromophenoxy)propoxy]phenyl]methanamine
CID 43530985
[1-[(2-bromophenoxy)methyl]cyclopentyl]methanamine
CID 82134815
2-[(2-bromophenoxy)methyl]pentan-1-amine
CID 117241854
1-[2-(2-bromophenoxy)ethyl]-1-methylhydrazine
CID 82294553

Frequently Asked Questions

What is the IUPAC name of (2-bromophenoxy)methanamine?
The IUPAC name of (2-bromophenoxy)methanamine (CID 57278354) is (2-bromophenoxy)methanamine.
What is the SMILES notation for (2-bromophenoxy)methanamine?
The canonical SMILES for (2-bromophenoxy)methanamine is NCOc1ccccc1Br.
What is the InChIKey of (2-bromophenoxy)methanamine?
The InChIKey is JHSVEZAIVKLXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c8-6-3-1-2-4-7(6)10-5-9/h1-4H,5,9H2.
What are the key properties of (2-bromophenoxy)methanamine?
(2-bromophenoxy)methanamine has a molecular weight of 202.05 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenoxy)methanamine is sourced from PubChem (CID 57278354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).