(1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine

C19H30N2O2 — CID 100894383

IUPAC(1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine
SMILESC[C@H](NCC[C@H]1CCCO1)[C@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H30N2O2/c1-16(20-10-9-18-8-5-13-23-18)19(17-6-3-2-4-7-17)21-11-14-22-15-12-21/h2-4,6-7,16,18-20H,5,8-15H2,1H3/t16-,18+,19+/m0/s1
InChIKeyIEZOAAPBRHDMNS-QXAKKESOSA-N
MW318.46 g/mol
LogP2.61
Rot. Bonds7

About (1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine

(1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine (PubChem CID 100894383) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound Name(1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine
PubChem CID100894383
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine
SMILESC[C@H](NCC[C@H]1CCCO1)[C@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H30N2O2/c1-16(20-10-9-18-8-5-13-23-18)19(17-6-3-2-4-7-17)21-11-14-22-15-12-21/h2-4,6-7,16,18-20H,5,8-15H2,1H3/t16-,18+,19+/m0/s1
InChIKeyIEZOAAPBRHDMNS-QXAKKESOSA-N
XLogP2.61
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine with MolForge

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Related Compounds

(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
2-methoxy-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 102977996
N-[2-(oxolan-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 61039958
2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 61039844
1-(dimethylamino)-3-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]propan-2-ol
CID 111755508
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81409134
(1R)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81364895
(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81365361
4-[(1R,2S)-2-(9-borabicyclo[3.3.1]nonan-9-yl)-1-phenylpropyl]morpholine
CID 135048781
1-[(3S)-3-[[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 97329232
2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine
CID 54940930
N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62089839

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine?
The IUPAC name of (1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine (CID 100894383) is (1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine.
What is the SMILES notation for (1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine?
The canonical SMILES for (1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine is C[C@H](NCC[C@H]1CCCO1)[C@H](c1ccccc1)N1CCOCC1.
What is the InChIKey of (1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine?
The InChIKey is IEZOAAPBRHDMNS-QXAKKESOSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-16(20-10-9-18-8-5-13-23-18)19(17-6-3-2-4-7-17)21-11-14-22-15-12-21/h2-4,6-7,16,18-20H,5,8-15H2,1H3/t16-,18+,19+/m0/s1.
What are the key properties of (1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine?
(1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine has a molecular weight of 318.46 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 100894383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).