1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine

C14H23NO2 — CID 113493164

IUPAC1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine
SMILESCCOCC(C)N[C@@H](C)c1ccccc1OC
InChIInChI=1S/C14H23NO2/c1-5-17-10-11(2)15-12(3)13-8-6-7-9-14(13)16-4/h6-9,11-12,15H,5,10H2,1-4H3/t11?,12-/m0/s1
InChIKeyKVBUEIFWTGYCQM-KIYNQFGBSA-N
MW237.34 g/mol
LogP2.77
Rot. Bonds7

About 1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine

1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine (PubChem CID 113493164) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine
PubChem CID113493164
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine
SMILESCCOCC(C)N[C@@H](C)c1ccccc1OC
InChIInChI=1S/C14H23NO2/c1-5-17-10-11(2)15-12(3)13-8-6-7-9-14(13)16-4/h6-9,11-12,15H,5,10H2,1-4H3/t11?,12-/m0/s1
InChIKeyKVBUEIFWTGYCQM-KIYNQFGBSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81396911
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
N-[1-(2-methoxyphenyl)ethyl]octan-2-amine
CID 43129932
4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine
CID 81396657
1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine
CID 103271705
N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43766762
N-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine
CID 113350914
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81387523
2-ethoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387481
(1R)-N-[1-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373592
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 101003205

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine (CID 113493164) is 1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine is CCOCC(C)N[C@@H](C)c1ccccc1OC.
What is the InChIKey of 1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine?
The InChIKey is KVBUEIFWTGYCQM-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-17-10-11(2)15-12(3)13-8-6-7-9-14(13)16-4/h6-9,11-12,15H,5,10H2,1-4H3/t11?,12-/m0/s1.
What are the key properties of 1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine?
1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 113493164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).