1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol

C20H36N2O4 — CID 22600659

IUPAC1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(Cc1cccc(CN(CC(C)O)CC(C)O)c1)CC(C)O
InChIInChI=1S/C20H36N2O4/c1-15(23)9-21(10-16(2)24)13-19-6-5-7-20(8-19)14-22(11-17(3)25)12-18(4)26/h5-8,15-18,23-26H,9-14H2,1-4H3
InChIKeyTVELKUHYYAIZJR-UHFFFAOYSA-N
MW368.52 g/mol
LogP0.81
Rot. Bonds12

About 1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol

1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 22600659) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
PubChem CID22600659
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Name1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(Cc1cccc(CN(CC(C)O)CC(C)O)c1)CC(C)O
InChIInChI=1S/C20H36N2O4/c1-15(23)9-21(10-16(2)24)13-19-6-5-7-20(8-19)14-22(11-17(3)25)12-18(4)26/h5-8,15-18,23-26H,9-14H2,1-4H3
InChIKeyTVELKUHYYAIZJR-UHFFFAOYSA-N
XLogP0.81
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol with MolForge

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Related Compounds

1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 4662474
1-[[4-(aminomethyl)phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 71237034
1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 2846001
(2R)-1-[(3,4-dichlorophenyl)methyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 783240
(2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol
CID 26458234
1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416066
(2R)-3-methyl-1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]butan-2-ol
CID 93162962
1-[benzyl(hydroxy)amino]propan-2-ol
CID 14957155
1-[4-[[bis(2-hydroxypropyl)amino]methyl]-2-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol
CID 101292459
(2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 756928
1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 24714118
1-[propan-2-yl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol
CID 111107920

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol (CID 22600659) is 1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol is CC(O)CN(Cc1cccc(CN(CC(C)O)CC(C)O)c1)CC(C)O.
What is the InChIKey of 1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is TVELKUHYYAIZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-15(23)9-21(10-16(2)24)13-19-6-5-7-20(8-19)14-22(11-17(3)25)12-18(4)26/h5-8,15-18,23-26H,9-14H2,1-4H3.
What are the key properties of 1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol?
1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 368.52 g/mol, XLogP of 0.81, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 22600659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).