[3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine

C15H16BrNO — CID 82797229

IUPAC[3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine
SMILESCc1ccc(Oc2ccc(CN)cc2Br)c(C)c1
InChIInChI=1S/C15H16BrNO/c1-10-3-5-14(11(2)7-10)18-15-6-4-12(9-17)8-13(15)16/h3-8H,9,17H2,1-2H3
InChIKeyQPRDDLQHIHQDJK-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.32
Rot. Bonds3

About [3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine

[3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine (PubChem CID 82797229) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is [3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine
PubChem CID82797229
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name[3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine
SMILESCc1ccc(Oc2ccc(CN)cc2Br)c(C)c1
InChIInChI=1S/C15H16BrNO/c1-10-3-5-14(11(2)7-10)18-15-6-4-12(9-17)8-13(15)16/h3-8H,9,17H2,1-2H3
InChIKeyQPRDDLQHIHQDJK-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine
CID 63802463
[4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 28966023
[3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 63457064
[3-methyl-4-(4-methylphenoxy)phenyl]methanamine
CID 55025691
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
[3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine
CID 82785114
(3-bromo-4-phenoxyphenyl)methanamine
CID 82797010
[4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine
CID 63456904
[2-(2,4-dimethylphenoxy)phenyl]methanamine
CID 19627395
2-bromo-1-[4-(bromomethyl)phenoxy]-4-methylbenzene
CID 107087378
[3-bromo-4-(4-tert-butylphenoxy)phenyl]methanamine
CID 82798328
[3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine
CID 105407420

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine?
The IUPAC name of [3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine (CID 82797229) is [3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine?
The canonical SMILES for [3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine is Cc1ccc(Oc2ccc(CN)cc2Br)c(C)c1.
What is the InChIKey of [3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine?
The InChIKey is QPRDDLQHIHQDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10-3-5-14(11(2)7-10)18-15-6-4-12(9-17)8-13(15)16/h3-8H,9,17H2,1-2H3.
What are the key properties of [3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine?
[3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine has a molecular weight of 306.20 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine is sourced from PubChem (CID 82797229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).