1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one

C17H27ClN2O — CID 62619386

IUPAC1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one
SMILESCC(C)CN(CCC(=O)c1ccc(Cl)cc1)CCN(C)C
InChIInChI=1S/C17H27ClN2O/c1-14(2)13-20(12-11-19(3)4)10-9-17(21)15-5-7-16(18)8-6-15/h5-8,14H,9-13H2,1-4H3
InChIKeyVPRKBLYNIZMRHQ-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.43
Rot. Bonds9

About 1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one

1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one (PubChem CID 62619386) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one
PubChem CID62619386
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one
SMILESCC(C)CN(CCC(=O)c1ccc(Cl)cc1)CCN(C)C
InChIInChI=1S/C17H27ClN2O/c1-14(2)13-20(12-11-19(3)4)10-9-17(21)15-5-7-16(18)8-6-15/h5-8,14H,9-13H2,1-4H3
InChIKeyVPRKBLYNIZMRHQ-UHFFFAOYSA-N
XLogP3.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one
CID 62619359
3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62611644
1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone
CID 54986707
1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one
CID 62631217
3-[[2-(4-chlorophenyl)-2-oxoethyl]-(2-methylpropyl)amino]propanenitrile
CID 60649770
3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one
CID 62612759
1-(4-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-one
CID 62619023
4-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)butan-1-one
CID 63567345
4-amino-1-(4-chlorophenyl)pentan-1-one
CID 116571618
4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one
CID 15284079
1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one
CID 62619707
3-[bis(3-methylbutyl)amino]-1-(4-methoxyphenyl)propan-1-one
CID 71671663

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one (CID 62619386) is 1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one is CC(C)CN(CCC(=O)c1ccc(Cl)cc1)CCN(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one?
The InChIKey is VPRKBLYNIZMRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-14(2)13-20(12-11-19(3)4)10-9-17(21)15-5-7-16(18)8-6-15/h5-8,14H,9-13H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one?
1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one has a molecular weight of 310.87 g/mol, XLogP of 3.43, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one is sourced from PubChem (CID 62619386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).