(2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol

C16H26N2O3 — CID 95751212

IUPAC(2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol
SMILESCN1CCO[C@H](CNC[C@H](O)COCc2ccccc2)C1
InChIInChI=1S/C16H26N2O3/c1-18-7-8-21-16(11-18)10-17-9-15(19)13-20-12-14-5-3-2-4-6-14/h2-6,15-17,19H,7-13H2,1H3/t15-,16+/m0/s1
InChIKeyPWUJDPFYISYCON-JKSUJKDBSA-N
MW294.39 g/mol
LogP0.48
Rot. Bonds8

About (2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol

(2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol (PubChem CID 95751212) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is (2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol
PubChem CID95751212
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name(2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol
SMILESCN1CCO[C@H](CNC[C@H](O)COCc2ccccc2)C1
InChIInChI=1S/C16H26N2O3/c1-18-7-8-21-16(11-18)10-17-9-15(19)13-20-12-14-5-3-2-4-6-14/h2-6,15-17,19H,7-13H2,1H3/t15-,16+/m0/s1
InChIKeyPWUJDPFYISYCON-JKSUJKDBSA-N
XLogP0.48
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylmethoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol
CID 78945247
1-(4-methylmorpholin-2-yl)-N-phenylmethoxymethanamine
CID 79172103
1-[(4-methylmorpholin-2-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol
CID 78945233
1-(3-bromophenoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol
CID 78960895
1-[(1-methylpyrrolidin-3-yl)amino]-3-phenylmethoxypropan-2-ol
CID 61462412
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylpropan-1-amine
CID 78945255
1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol
CID 115716647
1-[(4-methylmorpholin-2-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 78945365
1-[2-(aminomethyl)morpholin-4-yl]-3-phenylmethoxypropan-2-ol
CID 114398972
(2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol
CID 95330936
N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111527649
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylprop-2-yn-1-amine
CID 79071101

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol (CID 95751212) is (2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol is CN1CCO[C@H](CNC[C@H](O)COCc2ccccc2)C1.
What is the InChIKey of (2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol?
The InChIKey is PWUJDPFYISYCON-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-18-7-8-21-16(11-18)10-17-9-15(19)13-20-12-14-5-3-2-4-6-14/h2-6,15-17,19H,7-13H2,1H3/t15-,16+/m0/s1.
What are the key properties of (2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol?
(2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol has a molecular weight of 294.39 g/mol, XLogP of 0.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 95751212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).