1-[4-[cyclopropylmethyl(methyl)amino]phenyl]ethanone

C13H17NO — CID 60967715

IUPAC1-[4-[cyclopropylmethyl(methyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)CC2CC2)cc1
InChIInChI=1S/C13H17NO/c1-10(15)12-5-7-13(8-6-12)14(2)9-11-3-4-11/h5-8,11H,3-4,9H2,1-2H3
InChIKeyXNQXMNDQEORXSB-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.74
Rot. Bonds4

About 1-[4-[cyclopropylmethyl(methyl)amino]phenyl]ethanone

1-[4-[cyclopropylmethyl(methyl)amino]phenyl]ethanone (PubChem CID 60967715) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-[4-[cyclopropylmethyl(methyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[cyclopropylmethyl(methyl)amino]phenyl]ethanone
PubChem CID60967715
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-[4-[cyclopropylmethyl(methyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)CC2CC2)cc1
InChIInChI=1S/C13H17NO/c1-10(15)12-5-7-13(8-6-12)14(2)9-11-3-4-11/h5-8,11H,3-4,9H2,1-2H3
InChIKeyXNQXMNDQEORXSB-UHFFFAOYSA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromo-N-methylanilino)methyl]cyclohexane-1-carboxylic acid
CID 115221901
N-(cyclopropylmethyl)-N,1-dimethylpyridin-1-ium-4-amine
CID 143948010
1-[4-[methyl(2-pyrrolidin-3-ylethyl)amino]phenyl]ethanone
CID 117029580
1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone
CID 43272204
1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone
CID 3287675
4-acetyl-2-[cyclopentylmethyl(methyl)amino]benzonitrile
CID 133457008
2-[(4-acetylphenyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid
CID 43656183
4-[(4-ethoxy-N-methylanilino)methyl]cyclohexan-1-ol
CID 115239811
4-[(4-fluoro-N-methylanilino)methyl]cyclohexan-1-one
CID 115240065
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 63236757
3-bromo-4-[cyclopropylmethyl(methyl)amino]benzoic acid
CID 82800575
4-(chloromethyl)-N-(cyclopropylmethyl)-N,3-dimethylaniline
CID 62129636

Frequently Asked Questions

What is the IUPAC name of 1-[4-[cyclopropylmethyl(methyl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[cyclopropylmethyl(methyl)amino]phenyl]ethanone (CID 60967715) is 1-[4-[cyclopropylmethyl(methyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[cyclopropylmethyl(methyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[cyclopropylmethyl(methyl)amino]phenyl]ethanone is CC(=O)c1ccc(N(C)CC2CC2)cc1.
What is the InChIKey of 1-[4-[cyclopropylmethyl(methyl)amino]phenyl]ethanone?
The InChIKey is XNQXMNDQEORXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10(15)12-5-7-13(8-6-12)14(2)9-11-3-4-11/h5-8,11H,3-4,9H2,1-2H3.
What are the key properties of 1-[4-[cyclopropylmethyl(methyl)amino]phenyl]ethanone?
1-[4-[cyclopropylmethyl(methyl)amino]phenyl]ethanone has a molecular weight of 203.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[cyclopropylmethyl(methyl)amino]phenyl]ethanone is sourced from PubChem (CID 60967715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).