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

C18H22BrNO — CID 112538811

IUPAC3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
SMILESCCc1ccc(C(CN)Cc2cc(Br)ccc2OC)cc1
InChIInChI=1S/C18H22BrNO/c1-3-13-4-6-14(7-5-13)16(12-20)10-15-11-17(19)8-9-18(15)21-2/h4-9,11,16H,3,10,12,20H2,1-2H3
InChIKeyWGWOCPUPRSSCRL-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.31
Rot. Bonds6

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

3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine (PubChem CID 112538811) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
PubChem CID112538811
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
SMILESCCc1ccc(C(CN)Cc2cc(Br)ccc2OC)cc1
InChIInChI=1S/C18H22BrNO/c1-3-13-4-6-14(7-5-13)16(12-20)10-15-11-17(19)8-9-18(15)21-2/h4-9,11,16H,3,10,12,20H2,1-2H3
InChIKeyWGWOCPUPRSSCRL-UHFFFAOYSA-N
XLogP4.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine
CID 79438085
2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine
CID 62505917
2-(3-bromophenyl)-3-(2-methoxy-5-methylphenyl)propan-1-amine
CID 79442687
2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine
CID 62504322
3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol
CID 66060063
2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine
CID 82141576
3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine
CID 82139388
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine
CID 79443596
4-(5-bromo-2-methoxyphenyl)-3-fluoro-2-propan-2-ylbutan-1-amine
CID 107443576
3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
CID 83973025
4-(5-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
CID 81013850

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine (CID 112538811) is 3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine is CCc1ccc(C(CN)Cc2cc(Br)ccc2OC)cc1.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine?
The InChIKey is WGWOCPUPRSSCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-3-13-4-6-14(7-5-13)16(12-20)10-15-11-17(19)8-9-18(15)21-2/h4-9,11,16H,3,10,12,20H2,1-2H3.
What are the key properties of 3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine?
3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine is sourced from PubChem (CID 112538811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).