1-[4-[[bis(2-hydroxypropyl)amino]methyl]-2-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol

C20H36N2O4 — CID 101292459

IUPAC1-[4-[[bis(2-hydroxypropyl)amino]methyl]-2-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol
SMILESCC(O)CNCc1cc(CN(CC(C)O)CC(C)O)ccc1CC(C)O
InChIInChI=1S/C20H36N2O4/c1-14(23)7-19-6-5-18(8-20(19)10-21-9-15(2)24)13-22(11-16(3)25)12-17(4)26/h5-6,8,14-17,21,23-26H,7,9-13H2,1-4H3
InChIKeyFUJVRUDWEYJVFI-UHFFFAOYSA-N
MW368.52 g/mol
LogP0.64
Rot. Bonds12

About 1-[4-[[bis(2-hydroxypropyl)amino]methyl]-2-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol

1-[4-[[bis(2-hydroxypropyl)amino]methyl]-2-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol (PubChem CID 101292459) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-[4-[[bis(2-hydroxypropyl)amino]methyl]-2-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[[bis(2-hydroxypropyl)amino]methyl]-2-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol
PubChem CID101292459
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Name1-[4-[[bis(2-hydroxypropyl)amino]methyl]-2-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol
SMILESCC(O)CNCc1cc(CN(CC(C)O)CC(C)O)ccc1CC(C)O
InChIInChI=1S/C20H36N2O4/c1-14(23)7-19-6-5-18(8-20(19)10-21-9-15(2)24)13-22(11-16(3)25)12-17(4)26/h5-6,8,14-17,21,23-26H,7,9-13H2,1-4H3
InChIKeyFUJVRUDWEYJVFI-UHFFFAOYSA-N
XLogP0.64
TPSA96.19 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 50.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[bis(2-hydroxypropyl)amino]methyl]-2-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol with MolForge

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Related Compounds

1-[2-(aminomethyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol
CID 101292384
1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 22600659
(2R)-1-[(3,4-dichlorophenyl)methyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 783240
1-[5-(aminomethyl)-2-(2-hydroxypropyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol
CID 101292407
1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 2846001
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 103880565
1-[3-(aminomethyl)-5-(2-hydroxypropyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol
CID 101292408
1-[[4-(aminomethyl)phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 71237034
1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 4662474
1-[2-(aminomethyl)-3-(2-hydroxypropyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol
CID 101292420
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propan-2-ol
CID 29187822

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[bis(2-hydroxypropyl)amino]methyl]-2-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol?
The IUPAC name of 1-[4-[[bis(2-hydroxypropyl)amino]methyl]-2-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol (CID 101292459) is 1-[4-[[bis(2-hydroxypropyl)amino]methyl]-2-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-[[bis(2-hydroxypropyl)amino]methyl]-2-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol?
The canonical SMILES for 1-[4-[[bis(2-hydroxypropyl)amino]methyl]-2-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol is CC(O)CNCc1cc(CN(CC(C)O)CC(C)O)ccc1CC(C)O.
What is the InChIKey of 1-[4-[[bis(2-hydroxypropyl)amino]methyl]-2-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol?
The InChIKey is FUJVRUDWEYJVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-14(23)7-19-6-5-18(8-20(19)10-21-9-15(2)24)13-22(11-16(3)25)12-17(4)26/h5-6,8,14-17,21,23-26H,7,9-13H2,1-4H3.
What are the key properties of 1-[4-[[bis(2-hydroxypropyl)amino]methyl]-2-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol?
1-[4-[[bis(2-hydroxypropyl)amino]methyl]-2-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol has a molecular weight of 368.52 g/mol, XLogP of 0.64, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[bis(2-hydroxypropyl)amino]methyl]-2-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol is sourced from PubChem (CID 101292459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).