5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one

C16H25NO2 — CID 115236595

IUPAC5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one
SMILESCCc1ccc(OC)c(CN(C)CCCC(C)=O)c1
InChIInChI=1S/C16H25NO2/c1-5-14-8-9-16(19-4)15(11-14)12-17(3)10-6-7-13(2)18/h8-9,11H,5-7,10,12H2,1-4H3
InChIKeyBHQARRLVBYGUJL-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.06
Rot. Bonds8

About 5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one

5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one (PubChem CID 115236595) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one.

Molecular Properties

Compound Name5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one
PubChem CID115236595
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one
SMILESCCc1ccc(OC)c(CN(C)CCCC(C)=O)c1
InChIInChI=1S/C16H25NO2/c1-5-14-8-9-16(19-4)15(11-14)12-17(3)10-6-7-13(2)18/h8-9,11H,5-7,10,12H2,1-4H3
InChIKeyBHQARRLVBYGUJL-UHFFFAOYSA-N
XLogP3.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-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

5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236571
5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one
CID 115236560
5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236585
[(5-ethyl-2-methoxyphenyl)methyl-methylamino]methanethiol
CID 115228081
4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one
CID 115235918
4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 115155352
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 115005474
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine
CID 62019095
N'-[(5-ethyl-2-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
CID 115227004
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 115128018
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylpentan-1-amine
CID 62017038
4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide
CID 116845108

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one?
The IUPAC name of 5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one (CID 115236595) is 5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one.
What is the SMILES notation for 5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one?
The canonical SMILES for 5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one is CCc1ccc(OC)c(CN(C)CCCC(C)=O)c1.
What is the InChIKey of 5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one?
The InChIKey is BHQARRLVBYGUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-14-8-9-16(19-4)15(11-14)12-17(3)10-6-7-13(2)18/h8-9,11H,5-7,10,12H2,1-4H3.
What are the key properties of 5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one?
5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one has a molecular weight of 263.38 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one is sourced from PubChem (CID 115236595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).