2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine

C14H23NO2 — CID 81020856

IUPAC2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine
SMILESCCOc1ccc(C(C)(C)CN)cc1OCC
InChIInChI=1S/C14H23NO2/c1-5-16-12-8-7-11(14(3,4)10-15)9-13(12)17-6-2/h7-9H,5-6,10,15H2,1-4H3
InChIKeyKKXYGJIFDHNGEQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.72
Rot. Bonds6

About 2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine

2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine (PubChem CID 81020856) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine
PubChem CID81020856
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine
SMILESCCOc1ccc(C(C)(C)CN)cc1OCC
InChIInChI=1S/C14H23NO2/c1-5-16-12-8-7-11(14(3,4)10-15)9-13(12)17-6-2/h7-9H,5-6,10,15H2,1-4H3
InChIKeyKKXYGJIFDHNGEQ-UHFFFAOYSA-N
XLogP2.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-2-methylbutan-2-yl)-1,2-diethoxybenzene
CID 79838006
1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol
CID 19358537
1-ethoxy-4-[1-[2-(4-ethoxy-3-iodophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]-2-iodobenzene
CID 56618699
1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 170999647
2-(3,4-diethoxyphenyl)heptan-2-ol
CID 80557836
2-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine;hydrochloride
CID 74889721
2-(3-ethoxy-4-iodophenyl)-2-methylpropan-1-ol
CID 67244628
3-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol
CID 79837807
2-(3,4-diethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 68775083
2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
CID 4992587
4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine
CID 83935499
N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227492

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine (CID 81020856) is 2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine is CCOc1ccc(C(C)(C)CN)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine?
The InChIKey is KKXYGJIFDHNGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-16-12-8-7-11(14(3,4)10-15)9-13(12)17-6-2/h7-9H,5-6,10,15H2,1-4H3.
What are the key properties of 2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine?
2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 81020856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).