1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol

C15H22ClNO2 — CID 82753878

IUPAC1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
SMILESCC1OCCC1N(C)CCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO2/c1-11-14(8-10-19-11)17(2)9-7-15(18)12-3-5-13(16)6-4-12/h3-6,11,14-15,18H,7-10H2,1-2H3
InChIKeyWOGLYSJEWUCSGV-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.87
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol

1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol (PubChem CID 82753878) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
PubChem CID82753878
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
SMILESCC1OCCC1N(C)CCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO2/c1-11-14(8-10-19-11)17(2)9-7-15(18)12-3-5-13(16)6-4-12/h3-6,11,14-15,18H,7-10H2,1-2H3
InChIKeyWOGLYSJEWUCSGV-UHFFFAOYSA-N
XLogP2.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol (CID 82753878) is 1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol is CC1OCCC1N(C)CCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol?
The InChIKey is WOGLYSJEWUCSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11-14(8-10-19-11)17(2)9-7-15(18)12-3-5-13(16)6-4-12/h3-6,11,14-15,18H,7-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol?
1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol has a molecular weight of 283.80 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol is sourced from PubChem (CID 82753878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).