2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol

C15H25NO4 — CID 114331941

IUPAC2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol
SMILESCC(C)OCCOCC(O)CNCc1ccccc1O
InChIInChI=1S/C15H25NO4/c1-12(2)20-8-7-19-11-14(17)10-16-9-13-5-3-4-6-15(13)18/h3-6,12,14,16-18H,7-11H2,1-2H3
InChIKeyIGERFFFJODPPOP-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.28
Rot. Bonds10

About 2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol

2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol (PubChem CID 114331941) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol
PubChem CID114331941
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol
SMILESCC(C)OCCOCC(O)CNCc1ccccc1O
InChIInChI=1S/C15H25NO4/c1-12(2)20-8-7-19-11-14(17)10-16-9-13-5-3-4-6-15(13)18/h3-6,12,14,16-18H,7-11H2,1-2H3
InChIKeyIGERFFFJODPPOP-UHFFFAOYSA-N
XLogP1.28
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 63794811
1-(2-propan-2-yloxyethoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633221
2-[(2-propan-2-yloxyethylamino)methyl]phenol
CID 104588313
1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol
CID 62368265
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 106044600
1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60632107
1-[(5-bromothiophen-2-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60743812
2-[[(2-hydroxy-4-methylpentyl)amino]methyl]phenol;hydrochloride
CID 115603201
3-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]benzonitrile
CID 60918104
1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989015
1-[(4-bromothiophen-2-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60970520
1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 62989903

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol?
The IUPAC name of 2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol (CID 114331941) is 2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol?
The canonical SMILES for 2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol is CC(C)OCCOCC(O)CNCc1ccccc1O.
What is the InChIKey of 2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol?
The InChIKey is IGERFFFJODPPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-12(2)20-8-7-19-11-14(17)10-16-9-13-5-3-4-6-15(13)18/h3-6,12,14,16-18H,7-11H2,1-2H3.
What are the key properties of 2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol?
2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol has a molecular weight of 283.37 g/mol, XLogP of 1.28, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol is sourced from PubChem (CID 114331941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).