(3-bromo-4-phenoxyphenyl)methanamine

C13H12BrNO — CID 82797010

IUPAC(3-bromo-4-phenoxyphenyl)methanamine
SMILESNCc1ccc(Oc2ccccc2)c(Br)c1
InChIInChI=1S/C13H12BrNO/c14-12-8-10(9-15)6-7-13(12)16-11-4-2-1-3-5-11/h1-8H,9,15H2
InChIKeyUFRYYGDHRGBFPX-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.70
Rot. Bonds3

About (3-bromo-4-phenoxyphenyl)methanamine

(3-bromo-4-phenoxyphenyl)methanamine (PubChem CID 82797010) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is (3-bromo-4-phenoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-phenoxyphenyl)methanamine
PubChem CID82797010
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name(3-bromo-4-phenoxyphenyl)methanamine
SMILESNCc1ccc(Oc2ccccc2)c(Br)c1
InChIInChI=1S/C13H12BrNO/c14-12-8-10(9-15)6-7-13(12)16-11-4-2-1-3-5-11/h1-8H,9,15H2
InChIKeyUFRYYGDHRGBFPX-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-4-(4-tert-butylphenoxy)phenyl]methanamine
CID 82798328
[3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride
CID 139210923
[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]methanamine
CID 82797816
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
[3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine
CID 82798223
[3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine
CID 82797229
[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanamine
CID 116800206
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855
[3-bromo-4-(trideuteriomethoxy)phenyl]methanamine
CID 155798142
3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide
CID 82799401
2-bromo-1-[4-(bromomethyl)phenoxy]-4-methylbenzene
CID 107087378
[3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine
CID 82785114

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-phenoxyphenyl)methanamine?
The IUPAC name of (3-bromo-4-phenoxyphenyl)methanamine (CID 82797010) is (3-bromo-4-phenoxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-phenoxyphenyl)methanamine?
The canonical SMILES for (3-bromo-4-phenoxyphenyl)methanamine is NCc1ccc(Oc2ccccc2)c(Br)c1.
What is the InChIKey of (3-bromo-4-phenoxyphenyl)methanamine?
The InChIKey is UFRYYGDHRGBFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c14-12-8-10(9-15)6-7-13(12)16-11-4-2-1-3-5-11/h1-8H,9,15H2.
What are the key properties of (3-bromo-4-phenoxyphenyl)methanamine?
(3-bromo-4-phenoxyphenyl)methanamine has a molecular weight of 278.15 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-phenoxyphenyl)methanamine is sourced from PubChem (CID 82797010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).