5-[1-(4-chlorophenyl)ethylamino]-4-methylpentan-2-ol

C14H22ClNO — CID 84588288

IUPAC5-[1-(4-chlorophenyl)ethylamino]-4-methylpentan-2-ol
SMILESCC(O)CC(C)CNC(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-10(8-11(2)17)9-16-12(3)13-4-6-14(15)7-5-13/h4-7,10-12,16-17H,8-9H2,1-3H3
InChIKeyRMKJHCSYIKQXJJ-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.40
Rot. Bonds6

About 5-[1-(4-chlorophenyl)ethylamino]-4-methylpentan-2-ol

5-[1-(4-chlorophenyl)ethylamino]-4-methylpentan-2-ol (PubChem CID 84588288) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)ethylamino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)ethylamino]-4-methylpentan-2-ol
PubChem CID84588288
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name5-[1-(4-chlorophenyl)ethylamino]-4-methylpentan-2-ol
SMILESCC(O)CC(C)CNC(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-10(8-11(2)17)9-16-12(3)13-4-6-14(15)7-5-13/h4-7,10-12,16-17H,8-9H2,1-3H3
InChIKeyRMKJHCSYIKQXJJ-UHFFFAOYSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)ethylamino]-4-methylpentan-2-ol?
The IUPAC name of 5-[1-(4-chlorophenyl)ethylamino]-4-methylpentan-2-ol (CID 84588288) is 5-[1-(4-chlorophenyl)ethylamino]-4-methylpentan-2-ol.
What is the SMILES notation for 5-[1-(4-chlorophenyl)ethylamino]-4-methylpentan-2-ol?
The canonical SMILES for 5-[1-(4-chlorophenyl)ethylamino]-4-methylpentan-2-ol is CC(O)CC(C)CNC(C)c1ccc(Cl)cc1.
What is the InChIKey of 5-[1-(4-chlorophenyl)ethylamino]-4-methylpentan-2-ol?
The InChIKey is RMKJHCSYIKQXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-10(8-11(2)17)9-16-12(3)13-4-6-14(15)7-5-13/h4-7,10-12,16-17H,8-9H2,1-3H3.
What are the key properties of 5-[1-(4-chlorophenyl)ethylamino]-4-methylpentan-2-ol?
5-[1-(4-chlorophenyl)ethylamino]-4-methylpentan-2-ol has a molecular weight of 255.79 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)ethylamino]-4-methylpentan-2-ol is sourced from PubChem (CID 84588288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).