(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine

C21H33NO2 — CID 7643370

IUPAC(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
SMILESC[C@H](C[C@]1(c2ccccc2)CCOC(C)(C)C1)NC[C@@H]1CCCO1
InChIInChI=1S/C21H33NO2/c1-17(22-15-19-10-7-12-23-19)14-21(18-8-5-4-6-9-18)11-13-24-20(2,3)16-21/h4-6,8-9,17,19,22H,7,10-16H2,1-3H3/t17-,19+,21-/m1/s1
InChIKeyRTOVSWPWNYKPES-SLYNCCJLSA-N
MW331.50 g/mol
LogP4.06
Rot. Bonds6

About (2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine

(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine (PubChem CID 7643370) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is (2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
PubChem CID7643370
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC Name(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
SMILESC[C@H](C[C@]1(c2ccccc2)CCOC(C)(C)C1)NC[C@@H]1CCCO1
InChIInChI=1S/C21H33NO2/c1-17(22-15-19-10-7-12-23-19)14-21(18-8-5-4-6-9-18)11-13-24-20(2,3)16-21/h4-6,8-9,17,19,22H,7,10-16H2,1-3H3/t17-,19+,21-/m1/s1
InChIKeyRTOVSWPWNYKPES-SLYNCCJLSA-N
XLogP4.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

[(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7643369
N-[(2R)-1-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-N',N'-diethylpropane-1,3-diamine
CID 7642436
[(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)azanium
CID 7645497
N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine
CID 60688470
2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one
CID 82100049
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 63291889
2-methyl-1-(oxolan-2-ylmethyl)-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111136527
2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine
CID 104856010
2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine
CID 54940930
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine?
The IUPAC name of (2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine (CID 7643370) is (2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for (2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for (2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine is C[C@H](C[C@]1(c2ccccc2)CCOC(C)(C)C1)NC[C@@H]1CCCO1.
What is the InChIKey of (2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine?
The InChIKey is RTOVSWPWNYKPES-SLYNCCJLSA-N. The full InChI is InChI=1S/C21H33NO2/c1-17(22-15-19-10-7-12-23-19)14-21(18-8-5-4-6-9-18)11-13-24-20(2,3)16-21/h4-6,8-9,17,19,22H,7,10-16H2,1-3H3/t17-,19+,21-/m1/s1.
What are the key properties of (2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine?
(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 331.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 7643370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).