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

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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).