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

C15H16BrNO — CID 114889855

IUPAC[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
SMILESCc1ccc(Oc2ccc(Br)cc2CN)cc1C
InChIInChI=1S/C15H16BrNO/c1-10-3-5-14(7-11(10)2)18-15-6-4-13(16)8-12(15)9-17/h3-8H,9,17H2,1-2H3
InChIKeyNFHYELICLYVREI-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.32
Rot. Bonds3

About [5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine

[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine (PubChem CID 114889855) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is [5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
PubChem CID114889855
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
SMILESCc1ccc(Oc2ccc(Br)cc2CN)cc1C
InChIInChI=1S/C15H16BrNO/c1-10-3-5-14(7-11(10)2)18-15-6-4-13(16)8-12(15)9-17/h3-8H,9,17H2,1-2H3
InChIKeyNFHYELICLYVREI-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

[5-bromo-2-(4-bromo-2-methylphenoxy)phenyl]methanamine
CID 114889929
[5-bromo-2-(3-bromophenoxy)phenyl]methanamine
CID 114889905
[2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 107532595
[2-(3,4-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62309021
2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol
CID 107708359
[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine
CID 107926537
(5-bromo-2-methylphenyl)methanamine;hydrochloride
CID 75481848
4-(4-bromophenoxy)-1,2-dimethylbenzene
CID 169336658
[4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine
CID 104706389
[3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
CID 59112975
[4-bromo-2-(3-methyl-4-nitrophenoxy)phenyl]methanamine
CID 61030911
[2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926522

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine?
The IUPAC name of [5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine (CID 114889855) is [5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine?
The canonical SMILES for [5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine is Cc1ccc(Oc2ccc(Br)cc2CN)cc1C.
What is the InChIKey of [5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine?
The InChIKey is NFHYELICLYVREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10-3-5-14(7-11(10)2)18-15-6-4-13(16)8-12(15)9-17/h3-8H,9,17H2,1-2H3.
What are the key properties of [5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine?
[5-bromo-2-(3,4-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 [5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine is sourced from PubChem (CID 114889855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).