2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine

C18H22BrNO — CID 115962661

IUPAC2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
SMILESCc1ccc(COc2c(C)cc(Br)cc2CCN)cc1C
InChIInChI=1S/C18H22BrNO/c1-12-4-5-15(8-13(12)2)11-21-18-14(3)9-17(19)10-16(18)6-7-20/h4-5,8-10H,6-7,11,20H2,1-3H3
InChIKeyJPVANQPMBTVGKU-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.45
Rot. Bonds5

About 2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine

2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine (PubChem CID 115962661) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
PubChem CID115962661
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
SMILESCc1ccc(COc2c(C)cc(Br)cc2CCN)cc1C
InChIInChI=1S/C18H22BrNO/c1-12-4-5-15(8-13(12)2)11-21-18-14(3)9-17(19)10-16(18)6-7-20/h4-5,8-10H,6-7,11,20H2,1-3H3
InChIKeyJPVANQPMBTVGKU-UHFFFAOYSA-N
XLogP4.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-(chloromethyl)-2-[(3,4-dimethylphenyl)methoxy]-3-methylbenzene
CID 115962338
2-[5-bromo-2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115962640
[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 103037907
2-[[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]methyl]benzonitrile
CID 115962742
2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112621624
2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine
CID 112621515
2-[5-bromo-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanamine
CID 112621531
[5-bromo-2-[(4-chlorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621102
2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 115962668
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115957662
2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 65477113
2-[5-bromo-2-(difluoromethoxy)-3-methylphenyl]ethanamine
CID 112621644

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine?
The IUPAC name of 2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine (CID 115962661) is 2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine is Cc1ccc(COc2c(C)cc(Br)cc2CCN)cc1C.
What is the InChIKey of 2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine?
The InChIKey is JPVANQPMBTVGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-12-4-5-15(8-13(12)2)11-21-18-14(3)9-17(19)10-16(18)6-7-20/h4-5,8-10H,6-7,11,20H2,1-3H3.
What are the key properties of 2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine?
2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine has a molecular weight of 348.28 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine is sourced from PubChem (CID 115962661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).