4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol

C18H23NO3 — CID 83974199

IUPAC4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol
SMILESCOc1ccc(C(CN)Cc2ccc(O)c(OC)c2)c(C)c1
InChIInChI=1S/C18H23NO3/c1-12-8-15(21-2)5-6-16(12)14(11-19)9-13-4-7-17(20)18(10-13)22-3/h4-8,10,14,20H,9,11,19H2,1-3H3
InChIKeyZIECPYCSRBEIKD-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.00
Rot. Bonds6

About 4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol

4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol (PubChem CID 83974199) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol
PubChem CID83974199
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol
SMILESCOc1ccc(C(CN)Cc2ccc(O)c(OC)c2)c(C)c1
InChIInChI=1S/C18H23NO3/c1-12-8-15(21-2)5-6-16(12)14(11-19)9-13-4-7-17(20)18(10-13)22-3/h4-8,10,14,20H,9,11,19H2,1-3H3
InChIKeyZIECPYCSRBEIKD-UHFFFAOYSA-N
XLogP3.00
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine
CID 83974204
3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol
CID 83974181
4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol
CID 83974353
4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol
CID 83976615
4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol
CID 83972582
3-(4-butoxyphenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974227
3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 83972849
3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 112538798
4-amino-3-(4-methoxy-2-methylphenyl)butanoic acid
CID 82617488
4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol
CID 83972856
3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974179
3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83950554

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol?
The IUPAC name of 4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol (CID 83974199) is 4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol?
The canonical SMILES for 4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol is COc1ccc(C(CN)Cc2ccc(O)c(OC)c2)c(C)c1.
What is the InChIKey of 4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol?
The InChIKey is ZIECPYCSRBEIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-12-8-15(21-2)5-6-16(12)14(11-19)9-13-4-7-17(20)18(10-13)22-3/h4-8,10,14,20H,9,11,19H2,1-3H3.
What are the key properties of 4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol?
4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol has a molecular weight of 301.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol is sourced from PubChem (CID 83974199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).