2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine

C21H29NO3 — CID 83974204

IUPAC2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine
SMILESCOc1ccc(C(CN)Cc2ccc(OC)c(OC(C)C)c2)c(C)c1
InChIInChI=1S/C21H29NO3/c1-14(2)25-21-12-16(6-9-20(21)24-5)11-17(13-22)19-8-7-18(23-4)10-15(19)3/h6-10,12,14,17H,11,13,22H2,1-5H3
InChIKeyLHQFRDRPFYDHJN-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.08
Rot. Bonds8

About 2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine

2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 83974204) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine
PubChem CID83974204
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine
SMILESCOc1ccc(C(CN)Cc2ccc(OC)c(OC(C)C)c2)c(C)c1
InChIInChI=1S/C21H29NO3/c1-14(2)25-21-12-16(6-9-20(21)24-5)11-17(13-22)19-8-7-18(23-4)10-15(19)3/h6-10,12,14,17H,11,13,22H2,1-5H3
InChIKeyLHQFRDRPFYDHJN-UHFFFAOYSA-N
XLogP4.08
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol
CID 83974199
3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 83972849
3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol
CID 83974181
3-(4-butoxyphenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974227
3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 112538798
3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974179
3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974913
4-amino-3-(4-methoxy-2-methylphenyl)butanoic acid
CID 82617488
2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine
CID 83936405
2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 83975035
[3-methoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
CID 22687249
3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
CID 83974356

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of 2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine (CID 83974204) is 2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for 2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine is COc1ccc(C(CN)Cc2ccc(OC)c(OC(C)C)c2)c(C)c1.
What is the InChIKey of 2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is LHQFRDRPFYDHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-14(2)25-21-12-16(6-9-20(21)24-5)11-17(13-22)19-8-7-18(23-4)10-15(19)3/h6-10,12,14,17H,11,13,22H2,1-5H3.
What are the key properties of 2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine?
2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 343.47 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 83974204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).