1-(3-chlorophenyl)-2-(cyclopropylamino)butan-1-one

C13H16ClNO — CID 46944826

IUPAC1-(3-chlorophenyl)-2-(cyclopropylamino)butan-1-one
SMILESCCC(NC1CC1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO/c1-2-12(15-11-6-7-11)13(16)9-4-3-5-10(14)8-9/h3-5,8,11-12,15H,2,6-7H2,1H3
InChIKeyMEGMGMGUGNIQOU-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.05
Rot. Bonds5

About 1-(3-chlorophenyl)-2-(cyclopropylamino)butan-1-one

1-(3-chlorophenyl)-2-(cyclopropylamino)butan-1-one (PubChem CID 46944826) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(cyclopropylamino)butan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(cyclopropylamino)butan-1-one
PubChem CID46944826
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name1-(3-chlorophenyl)-2-(cyclopropylamino)butan-1-one
SMILESCCC(NC1CC1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO/c1-2-12(15-11-6-7-11)13(16)9-4-3-5-10(14)8-9/h3-5,8,11-12,15H,2,6-7H2,1H3
InChIKeyMEGMGMGUGNIQOU-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one
CID 11747400
2-(tert-butylamino)-1-(3-chlorophenyl)pentan-1-one
CID 3029724
1-(3-chlorophenyl)-2-hydroxypentan-1-one
CID 67470935
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 786712
3-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 786711
(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
CID 58665961
1-(3-chlorophenyl)butane-1,3-dione
CID 15256966
4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)butanamide
CID 63035769
2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid
CID 43754566
2-(tert-butylamino)-1-(3-chlorophenyl)-4-methylpentan-1-one
CID 44542657
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458
2-[1-(3-chlorophenyl)propylamino]-N-cyclopropylpropanamide
CID 112551799

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(cyclopropylamino)butan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-2-(cyclopropylamino)butan-1-one (CID 46944826) is 1-(3-chlorophenyl)-2-(cyclopropylamino)butan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(cyclopropylamino)butan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-2-(cyclopropylamino)butan-1-one is CCC(NC1CC1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(cyclopropylamino)butan-1-one?
The InChIKey is MEGMGMGUGNIQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-2-12(15-11-6-7-11)13(16)9-4-3-5-10(14)8-9/h3-5,8,11-12,15H,2,6-7H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(cyclopropylamino)butan-1-one?
1-(3-chlorophenyl)-2-(cyclopropylamino)butan-1-one has a molecular weight of 237.73 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(cyclopropylamino)butan-1-one is sourced from PubChem (CID 46944826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).