4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol

C17H21NO3 — CID 83974353

IUPAC4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol
SMILESCOc1cc(CC(CN)c2ccccc2OC)ccc1O
InChIInChI=1S/C17H21NO3/c1-20-16-6-4-3-5-14(16)13(11-18)9-12-7-8-15(19)17(10-12)21-2/h3-8,10,13,19H,9,11,18H2,1-2H3
InChIKeyADJDJQQGUWEZRQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.69
Rot. Bonds6

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

4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol (PubChem CID 83974353) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol
PubChem CID83974353
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol
SMILESCOc1cc(CC(CN)c2ccccc2OC)ccc1O
InChIInChI=1S/C17H21NO3/c1-20-16-6-4-3-5-14(16)13(11-18)9-12-7-8-15(19)17(10-12)21-2/h3-8,10,13,19H,9,11,18H2,1-2H3
InChIKeyADJDJQQGUWEZRQ-UHFFFAOYSA-N
XLogP2.69
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol
CID 83974199
4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol
CID 83972582
3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
CID 83974356
3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83955199
4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol
CID 83976615
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
2-methoxy-4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 28624338
4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol
CID 83975161
4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol
CID 83975818
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614
2-(2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 82141447
4-(2-iodopropyl)-2-methoxyphenol
CID 89111818

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol?
The IUPAC name of 4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol (CID 83974353) is 4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol?
The canonical SMILES for 4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol is COc1cc(CC(CN)c2ccccc2OC)ccc1O.
What is the InChIKey of 4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol?
The InChIKey is ADJDJQQGUWEZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-20-16-6-4-3-5-14(16)13(11-18)9-12-7-8-15(19)17(10-12)21-2/h3-8,10,13,19H,9,11,18H2,1-2H3.
What are the key properties of 4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol?
4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol has a molecular weight of 287.36 g/mol, XLogP of 2.69, 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-(2-methoxyphenyl)propyl]-2-methoxyphenol is sourced from PubChem (CID 83974353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).