(2S)-1-[benzyl(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

C21H30N2O4 — CID 93161388

IUPAC(2S)-1-[benzyl(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESO[C@H](COCc1ccco1)CN(CCN1CCOCC1)Cc1ccccc1
InChIInChI=1S/C21H30N2O4/c24-20(17-26-18-21-7-4-12-27-21)16-23(15-19-5-2-1-3-6-19)9-8-22-10-13-25-14-11-22/h1-7,12,20,24H,8-11,13-18H2/t20-/m0/s1
InChIKeyXPOQJWTUISTQOC-FQEVSTJZSA-N
MW374.48 g/mol
LogP1.99
Rot. Bonds11

About (2S)-1-[benzyl(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

(2S)-1-[benzyl(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 93161388) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is (2S)-1-[benzyl(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[benzyl(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID93161388
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name(2S)-1-[benzyl(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESO[C@H](COCc1ccco1)CN(CCN1CCOCC1)Cc1ccccc1
InChIInChI=1S/C21H30N2O4/c24-20(17-26-18-21-7-4-12-27-21)16-23(15-19-5-2-1-3-6-19)9-8-22-10-13-25-14-11-22/h1-7,12,20,24H,8-11,13-18H2/t20-/m0/s1
InChIKeyXPOQJWTUISTQOC-FQEVSTJZSA-N
XLogP1.99
TPSA58.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[benzyl(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol with MolForge

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46006821
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210
(2S)-1-[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93162329
1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682208
(2S)-1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93146968
1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007135
(2R)-1-[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 129423111
(2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 93163691
(2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-propylamino]propan-2-ol
CID 93163051
2-[benzyl(3-morpholin-4-ylpropyl)amino]-1-(furan-2-yl)ethanol
CID 75377692
(2S)-1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93163380
(2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93160909

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[benzyl(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of (2S)-1-[benzyl(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 93161388) is (2S)-1-[benzyl(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[benzyl(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[benzyl(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is O[C@H](COCc1ccco1)CN(CCN1CCOCC1)Cc1ccccc1.
What is the InChIKey of (2S)-1-[benzyl(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is XPOQJWTUISTQOC-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H30N2O4/c24-20(17-26-18-21-7-4-12-27-21)16-23(15-19-5-2-1-3-6-19)9-8-22-10-13-25-14-11-22/h1-7,12,20,24H,8-11,13-18H2/t20-/m0/s1.
What are the key properties of (2S)-1-[benzyl(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
(2S)-1-[benzyl(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 374.48 g/mol, XLogP of 1.99, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[benzyl(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 93161388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).