2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine

C21H29NO — CID 83974871

IUPAC2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine
SMILESCOc1cc(C)c(C)cc1C(CN)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C21H29NO/c1-14(2)18-8-6-17(7-9-18)12-19(13-22)20-10-15(3)16(4)11-21(20)23-5/h6-11,14,19H,12-13,22H2,1-5H3
InChIKeyUXVVXIHOOCDQAA-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.72
Rot. Bonds6

About 2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine

2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine (PubChem CID 83974871) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine
PubChem CID83974871
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine
SMILESCOc1cc(C)c(C)cc1C(CN)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C21H29NO/c1-14(2)18-8-6-17(7-9-18)12-19(13-22)20-10-15(3)16(4)11-21(20)23-5/h6-11,14,19H,12-13,22H2,1-5H3
InChIKeyUXVVXIHOOCDQAA-UHFFFAOYSA-N
XLogP4.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974869
3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974913
2-(2-methoxy-5-propan-2-ylphenyl)-3-(4-nitrophenyl)propan-1-amine
CID 82140023
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107
2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83974935
3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol
CID 82283929
2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 82139339
2-(2-methoxy-5-propan-2-ylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112508878
2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83974910
3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine
CID 116835584
1-(2-methoxy-5-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844158
2-(5-ethyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 82139945

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine?
The IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine (CID 83974871) is 2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine?
The canonical SMILES for 2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine is COc1cc(C)c(C)cc1C(CN)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine?
The InChIKey is UXVVXIHOOCDQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-14(2)18-8-6-17(7-9-18)12-19(13-22)20-10-15(3)16(4)11-21(20)23-5/h6-11,14,19H,12-13,22H2,1-5H3.
What are the key properties of 2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine?
2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine has a molecular weight of 311.47 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propan-1-amine is sourced from PubChem (CID 83974871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).