4-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]propyl]phenol

C15H26N2O2 — CID 106145228

IUPAC4-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCC(C)(O)CN(C)C
InChIInChI=1S/C15H26N2O2/c1-12(9-13-5-7-14(18)8-6-13)16-10-15(2,19)11-17(3)4/h5-8,12,16,18-19H,9-11H2,1-4H3
InChIKeyPGROMOXKJNDLIW-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.23
Rot. Bonds7

About 4-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]propyl]phenol

4-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]propyl]phenol (PubChem CID 106145228) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]propyl]phenol
PubChem CID106145228
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCC(C)(O)CN(C)C
InChIInChI=1S/C15H26N2O2/c1-12(9-13-5-7-14(18)8-6-13)16-10-15(2,19)11-17(3)4/h5-8,12,16,18-19H,9-11H2,1-4H3
InChIKeyPGROMOXKJNDLIW-UHFFFAOYSA-N
XLogP1.23
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)propan-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 103910207
1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145662
2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol
CID 65108155
4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol
CID 78942237
1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol
CID 103904363
4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol
CID 115493853
4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888
4-[1-amino-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol
CID 174803609
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide
CID 104904566
1-N-[1-(4-chlorophenyl)propan-2-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 103910216
N-ethyl-2-[1-(4-hydroxyphenyl)propan-2-ylamino]-N-methylacetamide
CID 107640502

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]propyl]phenol?
The IUPAC name of 4-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]propyl]phenol (CID 106145228) is 4-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]propyl]phenol.
What is the SMILES notation for 4-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]propyl]phenol?
The canonical SMILES for 4-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]propyl]phenol is CC(Cc1ccc(O)cc1)NCC(C)(O)CN(C)C.
What is the InChIKey of 4-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]propyl]phenol?
The InChIKey is PGROMOXKJNDLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12(9-13-5-7-14(18)8-6-13)16-10-15(2,19)11-17(3)4/h5-8,12,16,18-19H,9-11H2,1-4H3.
What are the key properties of 4-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]propyl]phenol?
4-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]propyl]phenol has a molecular weight of 266.38 g/mol, XLogP of 1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]propyl]phenol is sourced from PubChem (CID 106145228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).