2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine

C14H23NO2 — CID 117347645

IUPAC2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine
SMILESCOc1ccc(C(C)CN)c(OC)c1C(C)C
InChIInChI=1S/C14H23NO2/c1-9(2)13-12(16-4)7-6-11(10(3)8-15)14(13)17-5/h6-7,9-10H,8,15H2,1-5H3
InChIKeyJVEAXOFXSZJWEG-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.89
Rot. Bonds5

About 2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine

2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine (PubChem CID 117347645) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine
PubChem CID117347645
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine
SMILESCOc1ccc(C(C)CN)c(OC)c1C(C)C
InChIInChI=1S/C14H23NO2/c1-9(2)13-12(16-4)7-6-11(10(3)8-15)14(13)17-5/h6-7,9-10H,8,15H2,1-5H3
InChIKeyJVEAXOFXSZJWEG-UHFFFAOYSA-N
XLogP2.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336
2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine
CID 84782781
2-(3-methoxy-4-methyl-2-propan-2-ylphenyl)propan-1-amine
CID 117317005
2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117296766
2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine
CID 117320406
3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol
CID 117288592
2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine
CID 117331001
2-(6-methoxy-2,3-dimethylphenyl)propan-1-amine
CID 117284105
3-(1-aminopropan-2-yl)-4-methoxyaniline
CID 84657534
2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine
CID 83902053
3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine
CID 117386607

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine?
The IUPAC name of 2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine (CID 117347645) is 2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine?
The canonical SMILES for 2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine is COc1ccc(C(C)CN)c(OC)c1C(C)C.
What is the InChIKey of 2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine?
The InChIKey is JVEAXOFXSZJWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9(2)13-12(16-4)7-6-11(10(3)8-15)14(13)17-5/h6-7,9-10H,8,15H2,1-5H3.
What are the key properties of 2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine?
2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.89, 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)propan-1-amine is sourced from PubChem (CID 117347645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).