1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol

C14H22ClNO2 — CID 111108072

IUPAC1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
SMILESCC(O)CN(CC(O)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C14H22ClNO2/c1-10(2)16(8-11(3)17)9-14(18)12-4-6-13(15)7-5-12/h4-7,10-11,14,17-18H,8-9H2,1-3H3
InChIKeyFUWWUHYEPHDFIC-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.46
Rot. Bonds6

About 1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol

1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol (PubChem CID 111108072) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
PubChem CID111108072
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
SMILESCC(O)CN(CC(O)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C14H22ClNO2/c1-10(2)16(8-11(3)17)9-14(18)12-4-6-13(15)7-5-12/h4-7,10-11,14,17-18H,8-9H2,1-3H3
InChIKeyFUWWUHYEPHDFIC-UHFFFAOYSA-N
XLogP2.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
CID 111107929
1-(4-chlorophenyl)-5-methylhexan-1-ol
CID 83158277
1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
CID 111336418
2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949204
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 109411520
1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
CID 110908142
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol
CID 62266967
1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol
CID 112754618
3-[[2-(4-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropanenitrile
CID 110904783
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
CID 111463163

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol?
The IUPAC name of 1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol (CID 111108072) is 1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol?
The canonical SMILES for 1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol is CC(O)CN(CC(O)c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol?
The InChIKey is FUWWUHYEPHDFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-10(2)16(8-11(3)17)9-14(18)12-4-6-13(15)7-5-12/h4-7,10-11,14,17-18H,8-9H2,1-3H3.
What are the key properties of 1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol?
1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol has a molecular weight of 271.79 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 111108072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).