2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one

C17H25NO — CID 55000088

IUPAC2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N(CC2CC2)C(C)C)cc1
InChIInChI=1S/C17H25NO/c1-12(2)18(11-15-7-8-15)14(4)17(19)16-9-5-13(3)6-10-16/h5-6,9-10,12,14-15H,7-8,11H2,1-4H3
InChIKeyVGPYGSRZAMAMJY-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.69
Rot. Bonds6

About 2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one

2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one (PubChem CID 55000088) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
PubChem CID55000088
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N(CC2CC2)C(C)C)cc1
InChIInChI=1S/C17H25NO/c1-12(2)18(11-15-7-8-15)14(4)17(19)16-9-5-13(3)6-10-16/h5-6,9-10,12,14-15H,7-8,11H2,1-4H3
InChIKeyVGPYGSRZAMAMJY-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one (CID 55000088) is 2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)N(CC2CC2)C(C)C)cc1.
What is the InChIKey of 2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is VGPYGSRZAMAMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(2)18(11-15-7-8-15)14(4)17(19)16-9-5-13(3)6-10-16/h5-6,9-10,12,14-15H,7-8,11H2,1-4H3.
What are the key properties of 2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one?
2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 55000088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).