2-(cyclopentylamino)-1-(3-methylphenyl)propan-1-one

C15H21NO — CID 45141381

IUPAC2-(cyclopentylamino)-1-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)C(C)NC2CCCC2)c1
InChIInChI=1S/C15H21NO/c1-11-6-5-7-13(10-11)15(17)12(2)16-14-8-3-4-9-14/h5-7,10,12,14,16H,3-4,8-9H2,1-2H3
InChIKeyVLLKJTHFWNJPCE-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.10
Rot. Bonds4

About 2-(cyclopentylamino)-1-(3-methylphenyl)propan-1-one

2-(cyclopentylamino)-1-(3-methylphenyl)propan-1-one (PubChem CID 45141381) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(cyclopentylamino)-1-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(cyclopentylamino)-1-(3-methylphenyl)propan-1-one
PubChem CID45141381
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(cyclopentylamino)-1-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)C(C)NC2CCCC2)c1
InChIInChI=1S/C15H21NO/c1-11-6-5-7-13(10-11)15(17)12(2)16-14-8-3-4-9-14/h5-7,10,12,14,16H,3-4,8-9H2,1-2H3
InChIKeyVLLKJTHFWNJPCE-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-1-(3-methylphenyl)propan-1-one?
The IUPAC name of 2-(cyclopentylamino)-1-(3-methylphenyl)propan-1-one (CID 45141381) is 2-(cyclopentylamino)-1-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 2-(cyclopentylamino)-1-(3-methylphenyl)propan-1-one?
The canonical SMILES for 2-(cyclopentylamino)-1-(3-methylphenyl)propan-1-one is Cc1cccc(C(=O)C(C)NC2CCCC2)c1.
What is the InChIKey of 2-(cyclopentylamino)-1-(3-methylphenyl)propan-1-one?
The InChIKey is VLLKJTHFWNJPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-6-5-7-13(10-11)15(17)12(2)16-14-8-3-4-9-14/h5-7,10,12,14,16H,3-4,8-9H2,1-2H3.
What are the key properties of 2-(cyclopentylamino)-1-(3-methylphenyl)propan-1-one?
2-(cyclopentylamino)-1-(3-methylphenyl)propan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-1-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 45141381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).