3-(2-chlorophenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one

C18H20ClNO — CID 19049591

IUPAC3-(2-chlorophenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one
SMILESCN(C)C(C)(Cc1ccccc1Cl)C(=O)c1ccccc1
InChIInChI=1S/C18H20ClNO/c1-18(20(2)3,13-15-11-7-8-12-16(15)19)17(21)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKeySIKQCZNSKCLOLC-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.09
Rot. Bonds5

About 3-(2-chlorophenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one

3-(2-chlorophenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one (PubChem CID 19049591) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one
PubChem CID19049591
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name3-(2-chlorophenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one
SMILESCN(C)C(C)(Cc1ccccc1Cl)C(=O)c1ccccc1
InChIInChI=1S/C18H20ClNO/c1-18(20(2)3,13-15-11-7-8-12-16(15)19)17(21)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKeySIKQCZNSKCLOLC-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-benzoylphenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one
CID 19049443
2-[(2-chlorophenyl)methyl]-2-fluoropropanedioic acid
CID 122239702
N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide
CID 71847666
N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide
CID 112790320
2-(azepan-1-yl)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 84746800
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid
CID 62270705
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653
1-(2-chlorophenyl)-2-(dimethylamino)-2-ethylbutan-1-one
CID 79062329
1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one
CID 55098471
2-benzoyl-2,3-dihydroxy-3-methylbutanedioic acid
CID 141115442
2-amino-4-(2-chlorophenyl)-3-methyl-3-phenylbutanamide
CID 142629828
3-chloro-4-[(2-chlorophenyl)methyl-methylamino]benzoic acid
CID 63514701

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one?
The IUPAC name of 3-(2-chlorophenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one (CID 19049591) is 3-(2-chlorophenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for 3-(2-chlorophenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one is CN(C)C(C)(Cc1ccccc1Cl)C(=O)c1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one?
The InChIKey is SIKQCZNSKCLOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-18(20(2)3,13-15-11-7-8-12-16(15)19)17(21)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3.
What are the key properties of 3-(2-chlorophenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one?
3-(2-chlorophenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one has a molecular weight of 301.82 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 19049591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).