ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine

C13H23NO — CID 143132018

IUPACethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
SMILESCC.CCNC(C)c1ccc(OC)cc1
InChIInChI=1S/C11H17NO.C2H6/c1-4-12-9(2)10-5-7-11(13-3)8-6-10;1-2/h5-9,12H,4H2,1-3H3;1-2H3
InChIKeyXXSSZKVAMACKGZ-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.39
Rot. Bonds4

About ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine

ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine (PubChem CID 143132018) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Nameethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
PubChem CID143132018
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nameethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
SMILESCC.CCNC(C)c1ccc(OC)cc1
InChIInChI=1S/C11H17NO.C2H6/c1-4-12-9(2)10-5-7-11(13-3)8-6-10;1-2/h5-9,12H,4H2,1-3H3;1-2H3
InChIKeyXXSSZKVAMACKGZ-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine 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-ethyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 24708514
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 81370465
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007249
1,3-bis[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 71136549
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43489198
N-ethyl-1-(4-phenoxyphenyl)ethanamine
CID 43285534
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]but-2-en-1-amine
CID 107899124
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
N-ethyl-1-[4-(4-methylpentan-2-yloxy)phenyl]ethanamine
CID 43285161
N-ethyl-1-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 43284865

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine (CID 143132018) is ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine is CC.CCNC(C)c1ccc(OC)cc1.
What is the InChIKey of ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine?
The InChIKey is XXSSZKVAMACKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C2H6/c1-4-12-9(2)10-5-7-11(13-3)8-6-10;1-2/h5-9,12H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine?
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine has a molecular weight of 209.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 143132018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).