3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine

C18H22BrNO — CID 112538959

IUPAC3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
SMILESCCOc1ccc(C)cc1C(CN)Cc1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c1-3-21-18-8-7-13(2)9-17(18)15(12-20)10-14-5-4-6-16(19)11-14/h4-9,11,15H,3,10,12,20H2,1-2H3
InChIKeyDGQZIHMCCZHGBQ-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.44
Rot. Bonds6

About 3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine

3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine (PubChem CID 112538959) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
PubChem CID112538959
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
SMILESCCOc1ccc(C)cc1C(CN)Cc1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c1-3-21-18-8-7-13(2)9-17(18)15(12-20)10-14-5-4-6-16(19)11-14/h4-9,11,15H,3,10,12,20H2,1-2H3
InChIKeyDGQZIHMCCZHGBQ-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974508
2-[1-bromo-2-(3-bromophenyl)ethyl]-1-ethoxy-4-methylbenzene
CID 63447563
3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529
2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83974956
3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974597
3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 82139605
1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 60887289
2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine
CID 83975343
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanol
CID 78933642
[2-(3-bromophenyl)-1-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105202744
2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine
CID 83974775
3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine
CID 79448953

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine (CID 112538959) is 3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine is CCOc1ccc(C)cc1C(CN)Cc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine?
The InChIKey is DGQZIHMCCZHGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-3-21-18-8-7-13(2)9-17(18)15(12-20)10-14-5-4-6-16(19)11-14/h4-9,11,15H,3,10,12,20H2,1-2H3.
What are the key properties of 3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine?
3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine is sourced from PubChem (CID 112538959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).