(1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine

C15H23NO2 — CID 113369198

IUPAC(1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine
SMILESCC1CC(Oc2ccc([C@H](C)N)cc2)CC(C)O1
InChIInChI=1S/C15H23NO2/c1-10-8-15(9-11(2)17-10)18-14-6-4-13(5-7-14)12(3)16/h4-7,10-12,15H,8-9,16H2,1-3H3/t10?,11?,12-,15?/m0/s1
InChIKeyDZEDIWGJPJNUDX-WAQQSHLVSA-N
MW249.35 g/mol
LogP3.04
Rot. Bonds3

About (1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine

(1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine (PubChem CID 113369198) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine
PubChem CID113369198
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine
SMILESCC1CC(Oc2ccc([C@H](C)N)cc2)CC(C)O1
InChIInChI=1S/C15H23NO2/c1-10-8-15(9-11(2)17-10)18-14-6-4-13(5-7-14)12(3)16/h4-7,10-12,15H,8-9,16H2,1-3H3/t10?,11?,12-,15?/m0/s1
InChIKeyDZEDIWGJPJNUDX-WAQQSHLVSA-N
XLogP3.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64737275
(1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64734743
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
1-[4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556855
(1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride
CID 175741673
(1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine
CID 78958674
(1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78967085
(1R)-1-[2-(2,6-dimethyloxan-4-yl)oxy-3-pyridinyl]ethanamine
CID 114056769
(1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133228
1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79899545
1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79904241
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine (CID 113369198) is (1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine is CC1CC(Oc2ccc([C@H](C)N)cc2)CC(C)O1.
What is the InChIKey of (1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine?
The InChIKey is DZEDIWGJPJNUDX-WAQQSHLVSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-8-15(9-11(2)17-10)18-14-6-4-13(5-7-14)12(3)16/h4-7,10-12,15H,8-9,16H2,1-3H3/t10?,11?,12-,15?/m0/s1.
What are the key properties of (1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine?
(1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine has a molecular weight of 249.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 113369198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).