1-(4-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one

C15H22ClNO — CID 62619359

IUPAC1-(4-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one
SMILESCC(C)C(C)N(C)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c1-11(2)12(3)17(4)10-9-15(18)13-5-7-14(16)8-6-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyDDOMGJDEJYVDEB-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.89
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one

1-(4-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one (PubChem CID 62619359) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one
PubChem CID62619359
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-(4-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one
SMILESCC(C)C(C)N(C)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c1-11(2)12(3)17(4)10-9-15(18)13-5-7-14(16)8-6-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyDDOMGJDEJYVDEB-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one (CID 62619359) is 1-(4-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one is CC(C)C(C)N(C)CCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one?
The InChIKey is DDOMGJDEJYVDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11(2)12(3)17(4)10-9-15(18)13-5-7-14(16)8-6-13/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one?
1-(4-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one has a molecular weight of 267.80 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one is sourced from PubChem (CID 62619359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).