(2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine

C16H25NO2 — CID 97338287

IUPAC(2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine
SMILESCOc1ccccc1CC(C)(C)N[C@@H]1CCO[C@@H]1C
InChIInChI=1S/C16H25NO2/c1-12-14(9-10-19-12)17-16(2,3)11-13-7-5-6-8-15(13)18-4/h5-8,12,14,17H,9-11H2,1-4H3/t12-,14-/m1/s1
InChIKeyMFQPAGCERGYRGE-TZMCWYRMSA-N
MW263.38 g/mol
LogP2.78
Rot. Bonds5

About (2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine

(2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine (PubChem CID 97338287) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine
PubChem CID97338287
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine
SMILESCOc1ccccc1CC(C)(C)N[C@@H]1CCO[C@@H]1C
InChIInChI=1S/C16H25NO2/c1-12-14(9-10-19-12)17-16(2,3)11-13-7-5-6-8-15(13)18-4/h5-8,12,14,17H,9-11H2,1-4H3/t12-,14-/m1/s1
InChIKeyMFQPAGCERGYRGE-TZMCWYRMSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)oxolan-3-amine
CID 97358634
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyloxolan-3-amine
CID 82725940
N-[2-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79758998
3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 106469193
2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid
CID 60929248
3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine
CID 114544621
2-(2-methoxyphenyl)-1-(3-methyloxolan-2-yl)ethanol
CID 115778550
N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 75525158
3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N,4-N-dimethyloxane-3,4-diamine
CID 65488358
2-amino-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 54925372
(2S,3R)-N-[(3-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-amine
CID 97102484
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine?
The IUPAC name of (2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine (CID 97338287) is (2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine.
What is the SMILES notation for (2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine?
The canonical SMILES for (2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine is COc1ccccc1CC(C)(C)N[C@@H]1CCO[C@@H]1C.
What is the InChIKey of (2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine?
The InChIKey is MFQPAGCERGYRGE-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-14(9-10-19-12)17-16(2,3)11-13-7-5-6-8-15(13)18-4/h5-8,12,14,17H,9-11H2,1-4H3/t12-,14-/m1/s1.
What are the key properties of (2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine?
(2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine has a molecular weight of 263.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-2-methyloxolan-3-amine is sourced from PubChem (CID 97338287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).