3-(2,4-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine

C14H23NO2 — CID 64664546

IUPAC3-(2,4-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)Cc1ccc(OC)cc1OC
InChIInChI=1S/C14H23NO2/c1-5-15-10-11(2)8-12-6-7-13(16-3)9-14(12)17-4/h6-7,9,11,15H,5,8,10H2,1-4H3
InChIKeyHUHMJCWLXFJEAV-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.49
Rot. Bonds7

About 3-(2,4-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine

3-(2,4-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 64664546) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
PubChem CID64664546
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(2,4-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)Cc1ccc(OC)cc1OC
InChIInChI=1S/C14H23NO2/c1-5-15-10-11(2)8-12-6-7-13(16-3)9-14(12)17-4/h6-7,9,11,15H,5,8,10H2,1-4H3
InChIKeyHUHMJCWLXFJEAV-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
CID 64665840
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215620
3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 103396765
CID 68585306
CID 68585306
1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol
CID 63931950
5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine
CID 65304513
3-(2-bromo-5-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65327170
2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65032208
N-[(2,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157957
N-ethyl-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 54856188
N-(2,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine
CID 114987377

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine (CID 64664546) is 3-(2,4-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine is CCNCC(C)Cc1ccc(OC)cc1OC.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is HUHMJCWLXFJEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-15-10-11(2)8-12-6-7-13(16-3)9-14(12)17-4/h6-7,9,11,15H,5,8,10H2,1-4H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine?
3-(2,4-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 64664546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).