1-[(3-chlorophenyl)methyl-methylamino]propan-2-one

C11H14ClNO — CID 60650818

IUPAC1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
SMILESCC(=O)CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-9(14)7-13(2)8-10-4-3-5-11(12)6-10/h3-6H,7-8H2,1-2H3
InChIKeyDNHHOTPPFCVULS-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.36
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl-methylamino]propan-2-one

1-[(3-chlorophenyl)methyl-methylamino]propan-2-one (PubChem CID 60650818) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl-methylamino]propan-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
PubChem CID60650818
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
SMILESCC(=O)CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-9(14)7-13(2)8-10-4-3-5-11(12)6-10/h3-6H,7-8H2,1-2H3
InChIKeyDNHHOTPPFCVULS-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl-methylamino]-3-methylbutan-2-one
CID 79395557
2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide
CID 78790298
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
tert-butyl 2-[(3-chlorophenyl)methyl-methylamino]acetate
CID 123748358
2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone
CID 60650523
1-(3-bromophenyl)-2-[(3-chlorophenyl)methyl-methylamino]ethanone
CID 62051685
2-[(3-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone
CID 60650522
ethyl 4-[(3-chlorophenyl)methyl-methylamino]-3-oxobutanoate
CID 63898323
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60696496
1-(3-chlorophenyl)propan-2-one
CID 2734097
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 26510093

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl-methylamino]propan-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl-methylamino]propan-2-one (CID 60650818) is 1-[(3-chlorophenyl)methyl-methylamino]propan-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl-methylamino]propan-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl-methylamino]propan-2-one is CC(=O)CN(C)Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl-methylamino]propan-2-one?
The InChIKey is DNHHOTPPFCVULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-9(14)7-13(2)8-10-4-3-5-11(12)6-10/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl-methylamino]propan-2-one?
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one has a molecular weight of 211.69 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl-methylamino]propan-2-one is sourced from PubChem (CID 60650818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).