4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol

C13H20ClNO2 — CID 113376212

IUPAC4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
SMILESCC(O)CC(C)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO2/c1-9(7-10(2)16)15-8-13(17)11-3-5-12(14)6-4-11/h3-6,9-10,13,15-17H,7-8H2,1-2H3
InChIKeyDSXXCKMPUVPTPV-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.12
Rot. Bonds6

About 4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol

4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol (PubChem CID 113376212) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
PubChem CID113376212
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
SMILESCC(O)CC(C)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO2/c1-9(7-10(2)16)15-8-13(17)11-3-5-12(14)6-4-11/h3-6,9-10,13,15-17H,7-8H2,1-2H3
InChIKeyDSXXCKMPUVPTPV-UHFFFAOYSA-N
XLogP2.12
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 42553219
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(1R)-1-(4-chlorophenyl)-2-[1-(2-chlorophenyl)propan-2-ylamino]ethanol
CID 70002682
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
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1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol
CID 60909738
2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol
CID 60909048
2-(4-chlorophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide
CID 54203052
1-(4-chlorophenyl)-2-[(1-methoxy-3-methylbutan-2-yl)amino]ethanol
CID 65048817
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol
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CID 39247269
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol?
The IUPAC name of 4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol (CID 113376212) is 4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol is CC(O)CC(C)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol?
The InChIKey is DSXXCKMPUVPTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-9(7-10(2)16)15-8-13(17)11-3-5-12(14)6-4-11/h3-6,9-10,13,15-17H,7-8H2,1-2H3.
What are the key properties of 4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol?
4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol has a molecular weight of 257.76 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol is sourced from PubChem (CID 113376212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).