1-amino-4-[1-(3-chloro-5-methylphenyl)cyclobutyl]-4-methylpentan-3-one

C17H24ClNO — CID 70468556

IUPAC1-amino-4-[1-(3-chloro-5-methylphenyl)cyclobutyl]-4-methylpentan-3-one
SMILESCc1cc(Cl)cc(C2(C(C)(C)C(=O)CCN)CCC2)c1
InChIInChI=1S/C17H24ClNO/c1-12-9-13(11-14(18)10-12)17(6-4-7-17)16(2,3)15(20)5-8-19/h9-11H,4-8,19H2,1-3H3
InChIKeyWFYYJFMWTBEFTI-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.01
Rot. Bonds5

About 1-amino-4-[1-(3-chloro-5-methylphenyl)cyclobutyl]-4-methylpentan-3-one

1-amino-4-[1-(3-chloro-5-methylphenyl)cyclobutyl]-4-methylpentan-3-one (PubChem CID 70468556) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-amino-4-[1-(3-chloro-5-methylphenyl)cyclobutyl]-4-methylpentan-3-one.

Molecular Properties

Compound Name1-amino-4-[1-(3-chloro-5-methylphenyl)cyclobutyl]-4-methylpentan-3-one
PubChem CID70468556
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name1-amino-4-[1-(3-chloro-5-methylphenyl)cyclobutyl]-4-methylpentan-3-one
SMILESCc1cc(Cl)cc(C2(C(C)(C)C(=O)CCN)CCC2)c1
InChIInChI=1S/C17H24ClNO/c1-12-9-13(11-14(18)10-12)17(6-4-7-17)16(2,3)15(20)5-8-19/h9-11H,4-8,19H2,1-3H3
InChIKeyWFYYJFMWTBEFTI-UHFFFAOYSA-N
XLogP4.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[1-(3-chloro-5-methylphenyl)cyclobutyl]-4-methylpentan-3-one?
The IUPAC name of 1-amino-4-[1-(3-chloro-5-methylphenyl)cyclobutyl]-4-methylpentan-3-one (CID 70468556) is 1-amino-4-[1-(3-chloro-5-methylphenyl)cyclobutyl]-4-methylpentan-3-one.
What is the SMILES notation for 1-amino-4-[1-(3-chloro-5-methylphenyl)cyclobutyl]-4-methylpentan-3-one?
The canonical SMILES for 1-amino-4-[1-(3-chloro-5-methylphenyl)cyclobutyl]-4-methylpentan-3-one is Cc1cc(Cl)cc(C2(C(C)(C)C(=O)CCN)CCC2)c1.
What is the InChIKey of 1-amino-4-[1-(3-chloro-5-methylphenyl)cyclobutyl]-4-methylpentan-3-one?
The InChIKey is WFYYJFMWTBEFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-12-9-13(11-14(18)10-12)17(6-4-7-17)16(2,3)15(20)5-8-19/h9-11H,4-8,19H2,1-3H3.
What are the key properties of 1-amino-4-[1-(3-chloro-5-methylphenyl)cyclobutyl]-4-methylpentan-3-one?
1-amino-4-[1-(3-chloro-5-methylphenyl)cyclobutyl]-4-methylpentan-3-one has a molecular weight of 293.84 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[1-(3-chloro-5-methylphenyl)cyclobutyl]-4-methylpentan-3-one is sourced from PubChem (CID 70468556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).