2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine

C20H27NO — CID 82141454

IUPAC2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine
SMILESCOc1ccc(C)cc1C(CN)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C20H27NO/c1-13-6-7-20(22-5)19(10-13)17(12-21)11-18-15(3)8-14(2)9-16(18)4/h6-10,17H,11-12,21H2,1-5H3
InChIKeyRZLODCLKQXIVHA-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.21
Rot. Bonds5

About 2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine

2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine (PubChem CID 82141454) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine
PubChem CID82141454
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine
SMILESCOc1ccc(C)cc1C(CN)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C20H27NO/c1-13-6-7-20(22-5)19(10-13)17(12-21)11-18-15(3)8-14(2)9-16(18)4/h6-10,17H,11-12,21H2,1-5H3
InChIKeyRZLODCLKQXIVHA-UHFFFAOYSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 82141447
3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974607
3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974597
2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine
CID 82141384
3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 82139605
3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529
2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83974613
2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 82139339
3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 112538798
2,3-bis(2,4,6-trimethylphenyl)propan-1-amine
CID 82141452
3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 83972849
1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933048

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine (CID 82141454) is 2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine is COc1ccc(C)cc1C(CN)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine?
The InChIKey is RZLODCLKQXIVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-13-6-7-20(22-5)19(10-13)17(12-21)11-18-15(3)8-14(2)9-16(18)4/h6-10,17H,11-12,21H2,1-5H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine?
2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine is sourced from PubChem (CID 82141454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).