2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine

C13H21NO2 — CID 117320406

IUPAC2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine
SMILESCOc1ccc(CCN)c(OC)c1C(C)C
InChIInChI=1S/C13H21NO2/c1-9(2)12-11(15-3)6-5-10(7-8-14)13(12)16-4/h5-6,9H,7-8,14H2,1-4H3
InChIKeyJICMBZRXYSRJEH-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.33
Rot. Bonds5

About 2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine

2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine (PubChem CID 117320406) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine
PubChem CID117320406
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine
SMILESCOc1ccc(CCN)c(OC)c1C(C)C
InChIInChI=1S/C13H21NO2/c1-9(2)12-11(15-3)6-5-10(7-8-14)13(12)16-4/h5-6,9H,7-8,14H2,1-4H3
InChIKeyJICMBZRXYSRJEH-UHFFFAOYSA-N
XLogP2.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine
CID 170886567
2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117347645
1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-difluoroazetidine
CID 170587319
N-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,2-difluoro-N-methylethanamine
CID 170587356
2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine
CID 65305545
1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol
CID 117325544
3-(3-fluoro-2,6-dimethoxyphenyl)butan-1-amine
CID 117327116
2-(3,4-dimethoxy-2-propan-2-ylphenyl)acetonitrile
CID 19838196
1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-dimethylpiperidine
CID 170588217
3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 65305448
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine (CID 117320406) is 2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine is COc1ccc(CCN)c(OC)c1C(C)C.
What is the InChIKey of 2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine?
The InChIKey is JICMBZRXYSRJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9(2)12-11(15-3)6-5-10(7-8-14)13(12)16-4/h5-6,9H,7-8,14H2,1-4H3.
What are the key properties of 2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine?
2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 117320406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).