4-amino-4-(2-chlorophenyl)butan-2-one

C10H12ClNO — CID 134204644

IUPAC4-amino-4-(2-chlorophenyl)butan-2-one
SMILESCC(=O)CC(N)c1ccccc1Cl
InChIInChI=1S/C10H12ClNO/c1-7(13)6-10(12)8-4-2-3-5-9(8)11/h2-5,10H,6,12H2,1H3
InChIKeySCMCZGXBYSFBFC-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.32
Rot. Bonds3

About 4-amino-4-(2-chlorophenyl)butan-2-one

4-amino-4-(2-chlorophenyl)butan-2-one (PubChem CID 134204644) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 4-amino-4-(2-chlorophenyl)butan-2-one.

Molecular Properties

Compound Name4-amino-4-(2-chlorophenyl)butan-2-one
PubChem CID134204644
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name4-amino-4-(2-chlorophenyl)butan-2-one
SMILESCC(=O)CC(N)c1ccccc1Cl
InChIInChI=1S/C10H12ClNO/c1-7(13)6-10(12)8-4-2-3-5-9(8)11/h2-5,10H,6,12H2,1H3
InChIKeySCMCZGXBYSFBFC-UHFFFAOYSA-N
XLogP2.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride
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3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 44890909
[2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride
CID 68646285
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
(1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine
CID 94451404
(4R)-4-(2-chlorophenyl)-5-nitropentan-2-one
CID 132524338
(4S)-4-amino-4-(4-aminonaphthalen-1-yl)butan-2-one
CID 67865803
triethyl 2-(2-chlorophenyl)ethane-1,1,2-tricarboxylate
CID 102417450
3-(2-chlorophenyl)pentanediamide
CID 13034531
[2-amino-2-(2-chlorophenyl)ethyl]-tert-butylcarbamic acid
CID 67066199
(3S)-3-amino-3-(2,3-dichlorophenyl)propanamide
CID 29060246
4-amino-4-(1-benzofuran-3-yl)butan-2-one
CID 116940622

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2-chlorophenyl)butan-2-one?
The IUPAC name of 4-amino-4-(2-chlorophenyl)butan-2-one (CID 134204644) is 4-amino-4-(2-chlorophenyl)butan-2-one.
What is the SMILES notation for 4-amino-4-(2-chlorophenyl)butan-2-one?
The canonical SMILES for 4-amino-4-(2-chlorophenyl)butan-2-one is CC(=O)CC(N)c1ccccc1Cl.
What is the InChIKey of 4-amino-4-(2-chlorophenyl)butan-2-one?
The InChIKey is SCMCZGXBYSFBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-7(13)6-10(12)8-4-2-3-5-9(8)11/h2-5,10H,6,12H2,1H3.
What are the key properties of 4-amino-4-(2-chlorophenyl)butan-2-one?
4-amino-4-(2-chlorophenyl)butan-2-one has a molecular weight of 197.67 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2-chlorophenyl)butan-2-one is sourced from PubChem (CID 134204644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).