(1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine

C15H23NO2 — CID 78932889

IUPAC(1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCC1CCOCC1
InChIInChI=1S/C15H23NO2/c1-2-14(16)13-5-3-4-6-15(13)18-11-12-7-9-17-10-8-12/h3-6,12,14H,2,7-11,16H2,1H3/t14-/m0/s1
InChIKeyWBPNNZVMEMFWQT-AWEZNQCLSA-N
MW249.35 g/mol
LogP2.90
Rot. Bonds5

About (1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine

(1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine (PubChem CID 78932889) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine
PubChem CID78932889
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCC1CCOCC1
InChIInChI=1S/C15H23NO2/c1-2-14(16)13-5-3-4-6-15(13)18-11-12-7-9-17-10-8-12/h3-6,12,14H,2,7-11,16H2,1H3/t14-/m0/s1
InChIKeyWBPNNZVMEMFWQT-AWEZNQCLSA-N
XLogP2.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-ol
CID 62386971
2-(cyclopropylmethoxy)-1-(2-ethoxyphenyl)ethanamine
CID 43211702
(1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine
CID 78932149
1-(2-ethoxyphenyl)-2-(oxan-4-ylmethoxy)ethanol
CID 62383597
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
2-(1-aminopropyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 112678152
2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 103958935
(1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine
CID 79218494
1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385729
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 62988321
4-[[2-(bromomethyl)phenoxy]methyl]oxane
CID 62387338

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine (CID 78932889) is (1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine is CC[C@H](N)c1ccccc1OCC1CCOCC1.
What is the InChIKey of (1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine?
The InChIKey is WBPNNZVMEMFWQT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-14(16)13-5-3-4-6-15(13)18-11-12-7-9-17-10-8-12/h3-6,12,14H,2,7-11,16H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine?
(1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 78932889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).