(1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine

C14H21NO3 — CID 107134434

IUPAC(1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine
SMILESCOc1cc([C@H](C)N)ccc1OC1CCCOC1
InChIInChI=1S/C14H21NO3/c1-10(15)11-5-6-13(14(8-11)16-2)18-12-4-3-7-17-9-12/h5-6,8,10,12H,3-4,7,9,15H2,1-2H3/t10-,12?/m0/s1
InChIKeyMHQTWPNNTZIMOJ-NUHJPDEHSA-N
MW251.33 g/mol
LogP2.27
Rot. Bonds4

About (1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine

(1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine (PubChem CID 107134434) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine
PubChem CID107134434
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine
SMILESCOc1cc([C@H](C)N)ccc1OC1CCCOC1
InChIInChI=1S/C14H21NO3/c1-10(15)11-5-6-13(14(8-11)16-2)18-12-4-3-7-17-9-12/h5-6,8,10,12H,3-4,7,9,15H2,1-2H3/t10-,12?/m0/s1
InChIKeyMHQTWPNNTZIMOJ-NUHJPDEHSA-N
XLogP2.27
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]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

(1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol
CID 107135071
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
CID 117417571
2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005127
1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117470745
(1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63558652
(1R)-1-[3-bromo-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 78945077
[1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine
CID 117470732
3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]butanal
CID 117415121
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117444451
2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 117417850
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 16790426

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine (CID 107134434) is (1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine is COc1cc([C@H](C)N)ccc1OC1CCCOC1.
What is the InChIKey of (1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine?
The InChIKey is MHQTWPNNTZIMOJ-NUHJPDEHSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(15)11-5-6-13(14(8-11)16-2)18-12-4-3-7-17-9-12/h5-6,8,10,12H,3-4,7,9,15H2,1-2H3/t10-,12?/m0/s1.
What are the key properties of (1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine?
(1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine has a molecular weight of 251.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine is sourced from PubChem (CID 107134434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).