N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine

C15H23NO — CID 125486098

IUPACN-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine
SMILESCC(C)N[C@H](Cc1ccccc1)[C@@H]1CCCO1
InChIInChI=1S/C15H23NO/c1-12(2)16-14(15-9-6-10-17-15)11-13-7-4-3-5-8-13/h3-5,7-8,12,14-16H,6,9-11H2,1-2H3/t14-,15+/m1/s1
InChIKeySWQYHOKNRJLADD-CABCVRRESA-N
MW233.36 g/mol
LogP2.77
Rot. Bonds5

About N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine

N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine (PubChem CID 125486098) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine
PubChem CID125486098
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine
SMILESCC(C)N[C@H](Cc1ccccc1)[C@@H]1CCCO1
InChIInChI=1S/C15H23NO/c1-12(2)16-14(15-9-6-10-17-15)11-13-7-4-3-5-8-13/h3-5,7-8,12,14-16H,6,9-11H2,1-2H3/t14-,15+/m1/s1
InChIKeySWQYHOKNRJLADD-CABCVRRESA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine
CID 61065088
N-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine
CID 125485962
(1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine
CID 125486090
1-(oxolan-2-yl)-2-phenylethanol
CID 65331018
2-hydroxypropane-1,2,3-tricarboxylic acid;N-methyl-1-(oxolan-2-yl)-2-phenylethanamine
CID 139022406
1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine
CID 82835407
2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine
CID 61063961
(1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine
CID 124509379
(2R)-2-amino-N-[1-(oxolan-2-yl)ethyl]-3-phenylpropanamide
CID 78985428
1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115794372
2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 61064439
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 91661831

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine?
The IUPAC name of N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine (CID 125486098) is N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine.
What is the SMILES notation for N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine?
The canonical SMILES for N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine is CC(C)N[C@H](Cc1ccccc1)[C@@H]1CCCO1.
What is the InChIKey of N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine?
The InChIKey is SWQYHOKNRJLADD-CABCVRRESA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)16-14(15-9-6-10-17-15)11-13-7-4-3-5-8-13/h3-5,7-8,12,14-16H,6,9-11H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine?
N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine is sourced from PubChem (CID 125486098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).