2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol

C14H23NO3 — CID 79603670

IUPAC2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol
SMILESCC(O)c1ccc(N(CCCO)C(C)C)cc1O
InChIInChI=1S/C14H23NO3/c1-10(2)15(7-4-8-16)12-5-6-13(11(3)17)14(18)9-12/h5-6,9-11,16-18H,4,7-8H2,1-3H3
InChIKeyHHGHFSUNSWOGKM-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.04
Rot. Bonds6

About 2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol

2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol (PubChem CID 79603670) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol
PubChem CID79603670
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol
SMILESCC(O)c1ccc(N(CCCO)C(C)C)cc1O
InChIInChI=1S/C14H23NO3/c1-10(2)15(7-4-8-16)12-5-6-13(11(3)17)14(18)9-12/h5-6,9-11,16-18H,4,7-8H2,1-3H3
InChIKeyHHGHFSUNSWOGKM-UHFFFAOYSA-N
XLogP2.04
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol
CID 79604182
1-[2-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]phenyl]ethanone
CID 79600216
5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol
CID 102864148
2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol
CID 79600602
3-[4-(hydroxymethyl)-3-methyl-N-propan-2-ylanilino]propan-1-ol
CID 62135214
2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol
CID 107481086
5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol
CID 79603748
3-[4-fluoro-2-(1-hydroxyethyl)-N-propan-2-ylanilino]propan-1-ol
CID 54994679
2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol
CID 79604011
3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol
CID 61145734
3-(4-amino-N-propan-2-yl-3-propan-2-yloxyanilino)propan-1-ol
CID 83002102
4-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 61147660

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol?
The IUPAC name of 2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol (CID 79603670) is 2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol.
What is the SMILES notation for 2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol?
The canonical SMILES for 2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol is CC(O)c1ccc(N(CCCO)C(C)C)cc1O.
What is the InChIKey of 2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol?
The InChIKey is HHGHFSUNSWOGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10(2)15(7-4-8-16)12-5-6-13(11(3)17)14(18)9-12/h5-6,9-11,16-18H,4,7-8H2,1-3H3.
What are the key properties of 2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol?
2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol has a molecular weight of 253.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol is sourced from PubChem (CID 79603670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).