3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one

C15H21NO — CID 62630543

IUPAC3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)CCN(C)CC2CC2)c1
InChIInChI=1S/C15H21NO/c1-12-4-3-5-14(10-12)15(17)8-9-16(2)11-13-6-7-13/h3-5,10,13H,6-9,11H2,1-2H3
InChIKeyRMANJZHVXOXWHC-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.91
Rot. Bonds6

About 3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one

3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one (PubChem CID 62630543) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one
PubChem CID62630543
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)CCN(C)CC2CC2)c1
InChIInChI=1S/C15H21NO/c1-12-4-3-5-14(10-12)15(17)8-9-16(2)11-13-6-7-13/h3-5,10,13H,6-9,11H2,1-2H3
InChIKeyRMANJZHVXOXWHC-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)-3-[cyclobutylmethyl(methyl)amino]propan-1-one
CID 62862239
3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one
CID 82744004
1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one
CID 62612491
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236356
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
1-(3-methylphenyl)butan-1-one
CID 4304992
1-(3-methylphenyl)-3-sulfanylpropan-1-one
CID 116830819
4-(3-methylphenyl)-4-oxobutanoic acid
CID 2760002
N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62561610
4-[2-(3-methylphenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 24722573
3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62618352
3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 53349627

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one?
The IUPAC name of 3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one (CID 62630543) is 3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one?
The canonical SMILES for 3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one is Cc1cccc(C(=O)CCN(C)CC2CC2)c1.
What is the InChIKey of 3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one?
The InChIKey is RMANJZHVXOXWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-4-3-5-14(10-12)15(17)8-9-16(2)11-13-6-7-13/h3-5,10,13H,6-9,11H2,1-2H3.
What are the key properties of 3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one?
3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one has a molecular weight of 231.34 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 62630543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).