(1S,2R)-N-methyl-1-[(2S)-oxolan-2-yl]-2-phenylpropan-1-amine

C14H21NO — CID 124705823

IUPAC(1S,2R)-N-methyl-1-[(2S)-oxolan-2-yl]-2-phenylpropan-1-amine
SMILESCN[C@H]([C@@H]1CCCO1)[C@H](C)c1ccccc1
InChIInChI=1S/C14H21NO/c1-11(12-7-4-3-5-8-12)14(15-2)13-9-6-10-16-13/h3-5,7-8,11,13-15H,6,9-10H2,1-2H3/t11-,13+,14+/m1/s1
InChIKeyGQAZOAFCERSYDH-XBFCOCLRSA-N
MW219.33 g/mol
LogP2.56
Rot. Bonds4

About (1S,2R)-N-methyl-1-[(2S)-oxolan-2-yl]-2-phenylpropan-1-amine

(1S,2R)-N-methyl-1-[(2S)-oxolan-2-yl]-2-phenylpropan-1-amine (PubChem CID 124705823) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1S,2R)-N-methyl-1-[(2S)-oxolan-2-yl]-2-phenylpropan-1-amine.

Molecular Properties

Compound Name(1S,2R)-N-methyl-1-[(2S)-oxolan-2-yl]-2-phenylpropan-1-amine
PubChem CID124705823
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1S,2R)-N-methyl-1-[(2S)-oxolan-2-yl]-2-phenylpropan-1-amine
SMILESCN[C@H]([C@@H]1CCCO1)[C@H](C)c1ccccc1
InChIInChI=1S/C14H21NO/c1-11(12-7-4-3-5-8-12)14(15-2)13-9-6-10-16-13/h3-5,7-8,11,13-15H,6,9-10H2,1-2H3/t11-,13+,14+/m1/s1
InChIKeyGQAZOAFCERSYDH-XBFCOCLRSA-N
XLogP2.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66447748
N-methyl-1-(oxan-2-yl)-1-phenylmethanamine
CID 62213165
(2S)-2-[(1S)-1-phenylethyl]oxolane
CID 118374007
(2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane
CID 118371657
2-[chloro(phenyl)methyl]oxolane
CID 11084790
2-(methylamino)-N-[oxolan-2-yl(phenyl)methyl]acetamide
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1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 65328286
N-methyl-1-naphthalen-2-yl-1-(oxolan-2-yl)methanamine
CID 65328741
3-methyl-N-[1-(oxolan-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43108572
(1R)-N-methyl-1-[(2S)-oxolan-2-yl]-1-(4-phenyl-1,3-diazet-2-yl)methanamine
CID 155718502
(1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one
CID 134925712
N-methyl-1-(oxolan-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine
CID 107330681

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-N-methyl-1-[(2S)-oxolan-2-yl]-2-phenylpropan-1-amine?
The IUPAC name of (1S,2R)-N-methyl-1-[(2S)-oxolan-2-yl]-2-phenylpropan-1-amine (CID 124705823) is (1S,2R)-N-methyl-1-[(2S)-oxolan-2-yl]-2-phenylpropan-1-amine.
What is the SMILES notation for (1S,2R)-N-methyl-1-[(2S)-oxolan-2-yl]-2-phenylpropan-1-amine?
The canonical SMILES for (1S,2R)-N-methyl-1-[(2S)-oxolan-2-yl]-2-phenylpropan-1-amine is CN[C@H]([C@@H]1CCCO1)[C@H](C)c1ccccc1.
What is the InChIKey of (1S,2R)-N-methyl-1-[(2S)-oxolan-2-yl]-2-phenylpropan-1-amine?
The InChIKey is GQAZOAFCERSYDH-XBFCOCLRSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(12-7-4-3-5-8-12)14(15-2)13-9-6-10-16-13/h3-5,7-8,11,13-15H,6,9-10H2,1-2H3/t11-,13+,14+/m1/s1.
What are the key properties of (1S,2R)-N-methyl-1-[(2S)-oxolan-2-yl]-2-phenylpropan-1-amine?
(1S,2R)-N-methyl-1-[(2S)-oxolan-2-yl]-2-phenylpropan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-N-methyl-1-[(2S)-oxolan-2-yl]-2-phenylpropan-1-amine is sourced from PubChem (CID 124705823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).