4-(cyclopropylamino)-1-(3-methylphenyl)butan-2-one

C14H19NO — CID 116559347

IUPAC4-(cyclopropylamino)-1-(3-methylphenyl)butan-2-one
SMILESCc1cccc(CC(=O)CCNC2CC2)c1
InChIInChI=1S/C14H19NO/c1-11-3-2-4-12(9-11)10-14(16)7-8-15-13-5-6-13/h2-4,9,13,15H,5-8,10H2,1H3
InChIKeyCWXQMJNRBKGNPF-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.25
Rot. Bonds6

About 4-(cyclopropylamino)-1-(3-methylphenyl)butan-2-one

4-(cyclopropylamino)-1-(3-methylphenyl)butan-2-one (PubChem CID 116559347) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(cyclopropylamino)-1-(3-methylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(cyclopropylamino)-1-(3-methylphenyl)butan-2-one
PubChem CID116559347
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-(cyclopropylamino)-1-(3-methylphenyl)butan-2-one
SMILESCc1cccc(CC(=O)CCNC2CC2)c1
InChIInChI=1S/C14H19NO/c1-11-3-2-4-12(9-11)10-14(16)7-8-15-13-5-6-13/h2-4,9,13,15H,5-8,10H2,1H3
InChIKeyCWXQMJNRBKGNPF-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 16776498
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CID 6467373
4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 62313168
1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 55062758
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
1-cyclopentylsulfanyl-3-(3-methylphenyl)propan-2-one
CID 65138848
N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid
CID 163327213
1-(3-methylphenyl)hept-5-yn-2-one
CID 104803120
4-(2-methylphenyl)-1-(3-methylphenyl)butan-2-one
CID 55067851
N-[3-(3-methylphenyl)propyl]cyclobutanamine
CID 22492849
5-amino-5-methyl-1-(3-methylphenyl)hexan-2-one
CID 116571386

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-1-(3-methylphenyl)butan-2-one?
The IUPAC name of 4-(cyclopropylamino)-1-(3-methylphenyl)butan-2-one (CID 116559347) is 4-(cyclopropylamino)-1-(3-methylphenyl)butan-2-one.
What is the SMILES notation for 4-(cyclopropylamino)-1-(3-methylphenyl)butan-2-one?
The canonical SMILES for 4-(cyclopropylamino)-1-(3-methylphenyl)butan-2-one is Cc1cccc(CC(=O)CCNC2CC2)c1.
What is the InChIKey of 4-(cyclopropylamino)-1-(3-methylphenyl)butan-2-one?
The InChIKey is CWXQMJNRBKGNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-3-2-4-12(9-11)10-14(16)7-8-15-13-5-6-13/h2-4,9,13,15H,5-8,10H2,1H3.
What are the key properties of 4-(cyclopropylamino)-1-(3-methylphenyl)butan-2-one?
4-(cyclopropylamino)-1-(3-methylphenyl)butan-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-1-(3-methylphenyl)butan-2-one is sourced from PubChem (CID 116559347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).