1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-2-amine

C18H22BrNO — CID 63411408

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)(N)c2cc(C)ccc2C)cc1Br
InChIInChI=1S/C18H22BrNO/c1-12-5-6-13(2)15(9-12)18(3,20)11-14-7-8-17(21-4)16(19)10-14/h5-10H,11,20H2,1-4H3
InChIKeyIDFPSZAKMDYBEF-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.49
Rot. Bonds4

About 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-2-amine

1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-2-amine (PubChem CID 63411408) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-2-amine
PubChem CID63411408
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)(N)c2cc(C)ccc2C)cc1Br
InChIInChI=1S/C18H22BrNO/c1-12-5-6-13(2)15(9-12)18(3,20)11-14-7-8-17(21-4)16(19)10-14/h5-10H,11,20H2,1-4H3
InChIKeyIDFPSZAKMDYBEF-UHFFFAOYSA-N
XLogP4.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine
CID 55186203
1-(3-bromo-4-methoxyphenyl)-3-ethoxy-2-methylpropan-2-amine
CID 113493311
2-[(3-bromo-4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 62725314
2-N-[2-(3-bromo-4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
CID 115126408
2-N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine
CID 115126339
1-N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine
CID 115125046
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
1-(3-bromo-4-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899973
1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine
CID 83698352
1-(4-methoxy-3-methylphenyl)propane-2,2-diamine
CID 166666114
3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 112538798
2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine
CID 158549441

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-2-amine (CID 63411408) is 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-2-amine is COc1ccc(CC(C)(N)c2cc(C)ccc2C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-2-amine?
The InChIKey is IDFPSZAKMDYBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-12-5-6-13(2)15(9-12)18(3,20)11-14-7-8-17(21-4)16(19)10-14/h5-10H,11,20H2,1-4H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-2-amine?
1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-2-amine has a molecular weight of 348.28 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 63411408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).