1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone

C14H19NO — CID 63913034

IUPAC1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone
SMILESCc1cccc(CN(C)CC(=O)C2CC2)c1
InChIInChI=1S/C14H19NO/c1-11-4-3-5-12(8-11)9-15(2)10-14(16)13-6-7-13/h3-5,8,13H,6-7,9-10H2,1-2H3
InChIKeyRLRZVAVBJSUUMU-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.41
Rot. Bonds5

About 1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone

1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone (PubChem CID 63913034) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone
PubChem CID63913034
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone
SMILESCc1cccc(CN(C)CC(=O)C2CC2)c1
InChIInChI=1S/C14H19NO/c1-11-4-3-5-12(8-11)9-15(2)10-14(16)13-6-7-13/h3-5,8,13H,6-7,9-10H2,1-2H3
InChIKeyRLRZVAVBJSUUMU-UHFFFAOYSA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 63912379
1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one
CID 62042480
2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone
CID 62030952
4-[methyl-[(3-methylphenyl)methyl]amino]butan-2-one
CID 62031141
2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide
CID 61414221
1-cyclopentyl-2-(N,3-dimethylanilino)ethanone
CID 104750297
N-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 55070888
3-[methyl-[(3-methylphenyl)methyl]amino]cyclobutane-1-carboxylic acid
CID 117042985
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 83983411
3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115161620
2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone
CID 65424823
3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66009589

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone?
The IUPAC name of 1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone (CID 63913034) is 1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone is Cc1cccc(CN(C)CC(=O)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone?
The InChIKey is RLRZVAVBJSUUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-4-3-5-12(8-11)9-15(2)10-14(16)13-6-7-13/h3-5,8,13H,6-7,9-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone?
1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone has a molecular weight of 217.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone is sourced from PubChem (CID 63913034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).