(2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine

C17H27NO4 — CID 915883

IUPAC(2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
SMILESCOc1cccc(OC)c1OC[C@H](C)CNC[C@H]1CCCO1
InChIInChI=1S/C17H27NO4/c1-13(10-18-11-14-6-5-9-21-14)12-22-17-15(19-2)7-4-8-16(17)20-3/h4,7-8,13-14,18H,5-6,9-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyZFYZNUCKNAWSDJ-ZIAGYGMSSA-N
MW309.41 g/mol
LogP2.49
Rot. Bonds9

About (2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine

(2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine (PubChem CID 915883) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name(2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
PubChem CID915883
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name(2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
SMILESCOc1cccc(OC)c1OC[C@H](C)CNC[C@H]1CCCO1
InChIInChI=1S/C17H27NO4/c1-13(10-18-11-14-6-5-9-21-14)12-22-17-15(19-2)7-4-8-16(17)20-3/h4,7-8,13-14,18H,5-6,9-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyZFYZNUCKNAWSDJ-ZIAGYGMSSA-N
XLogP2.49
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

[(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7196503
N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine
CID 62450901
3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62450721
4-(2,6-dimethoxyphenoxy)-N-(oxolan-2-ylmethyl)butan-1-amine;oxalic acid
CID 2923735
2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62573039
N-[(2-butoxy-3-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 54847592
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7248431
2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55093100
1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 60633751
2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63649409
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 17290269

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of (2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine (CID 915883) is (2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for (2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for (2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine is COc1cccc(OC)c1OC[C@H](C)CNC[C@H]1CCCO1.
What is the InChIKey of (2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is ZFYZNUCKNAWSDJ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H27NO4/c1-13(10-18-11-14-6-5-9-21-14)12-22-17-15(19-2)7-4-8-16(17)20-3/h4,7-8,13-14,18H,5-6,9-12H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of (2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine?
(2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 309.41 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 915883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).