2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine

C16H18BrNO — CID 63325848

IUPAC2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
SMILESCc1ccc(OCc2cccc(Br)c2)c(CCN)c1
InChIInChI=1S/C16H18BrNO/c1-12-5-6-16(14(9-12)7-8-18)19-11-13-3-2-4-15(17)10-13/h2-6,9-10H,7-8,11,18H2,1H3
InChIKeyPDONVHFHDFPAEP-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.84
Rot. Bonds5

About 2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine

2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine (PubChem CID 63325848) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
PubChem CID63325848
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
SMILESCc1ccc(OCc2cccc(Br)c2)c(CCN)c1
InChIInChI=1S/C16H18BrNO/c1-12-5-6-16(14(9-12)7-8-18)19-11-13-3-2-4-15(17)10-13/h2-6,9-10H,7-8,11,18H2,1H3
InChIKeyPDONVHFHDFPAEP-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63326109
2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60906008
1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 60887289
[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60880402
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanol
CID 78933642
2-[(3-bromophenyl)methoxy]-5-methylbenzenesulfonyl chloride
CID 43111244
3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine
CID 170867838
2-[5-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60905993
2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321655
4-[(3-bromophenyl)methoxy]-3-methoxyaniline
CID 55036826
1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]ethanol
CID 63651626
2-[2-[(6-methoxy-2-pyridinyl)methoxy]-5-methylphenyl]ethanamine
CID 63985124

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine?
The IUPAC name of 2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine (CID 63325848) is 2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine.
What is the SMILES notation for 2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine?
The canonical SMILES for 2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine is Cc1ccc(OCc2cccc(Br)c2)c(CCN)c1.
What is the InChIKey of 2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine?
The InChIKey is PDONVHFHDFPAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-12-5-6-16(14(9-12)7-8-18)19-11-13-3-2-4-15(17)10-13/h2-6,9-10H,7-8,11,18H2,1H3.
What are the key properties of 2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine?
2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine has a molecular weight of 320.23 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine is sourced from PubChem (CID 63325848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).