1-(4-chlorophenyl)-1-(methylamino)propan-2-one

C10H12ClNO — CID 116955808

IUPAC1-(4-chlorophenyl)-1-(methylamino)propan-2-one
SMILESCNC(C(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO/c1-7(13)10(12-2)8-3-5-9(11)6-4-8/h3-6,10,12H,1-2H3
InChIKeyJCBUUTPFTNIDIQ-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.19
Rot. Bonds3

About 1-(4-chlorophenyl)-1-(methylamino)propan-2-one

1-(4-chlorophenyl)-1-(methylamino)propan-2-one (PubChem CID 116955808) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(methylamino)propan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(methylamino)propan-2-one
PubChem CID116955808
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name1-(4-chlorophenyl)-1-(methylamino)propan-2-one
SMILESCNC(C(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO/c1-7(13)10(12-2)8-3-5-9(11)6-4-8/h3-6,10,12H,1-2H3
InChIKeyJCBUUTPFTNIDIQ-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(methylamino)-1-phenylpropan-2-one
CID 59960222
1-(4-chlorophenyl)-1-sulfanylpropan-2-one
CID 163571733
(3S)-3-(4-chlorophenyl)butan-2-one
CID 94841773
3-(4-chlorophenyl)butan-2-one
CID 21269944
(3R)-3-(4-chlorophenyl)butan-2-one
CID 90139633
4-(4-chlorophenyl)-4-(methylamino)butan-2-one
CID 116955972
methyl 2-acetamido-2-(4-chlorophenyl)acetate
CID 45100786
N-[(1R)-1-(4-chlorophenyl)-2-oxopropyl]-4-nitrobenzenesulfonamide
CID 101440796
3-[1-(4-chlorophenyl)ethyl]pentane-2,4-dione
CID 11557749
(2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid
CID 93280068
acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 71336866
(2S)-2-(4-chlorophenyl)-N-methylpropanamide
CID 143748208

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(methylamino)propan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-1-(methylamino)propan-2-one (CID 116955808) is 1-(4-chlorophenyl)-1-(methylamino)propan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(methylamino)propan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-1-(methylamino)propan-2-one is CNC(C(C)=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(methylamino)propan-2-one?
The InChIKey is JCBUUTPFTNIDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-7(13)10(12-2)8-3-5-9(11)6-4-8/h3-6,10,12H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-1-(methylamino)propan-2-one?
1-(4-chlorophenyl)-1-(methylamino)propan-2-one has a molecular weight of 197.66 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(methylamino)propan-2-one is sourced from PubChem (CID 116955808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).