1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine

C16H25NO — CID 103903195

IUPAC1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
SMILESCOc1ccc(C)cc1C(C)NCC1(C)CCC1
InChIInChI=1S/C16H25NO/c1-12-6-7-15(18-4)14(10-12)13(2)17-11-16(3)8-5-9-16/h6-7,10,13,17H,5,8-9,11H2,1-4H3
InChIKeyXJFQICRJSUHPSU-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.84
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine

1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine (PubChem CID 103903195) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
PubChem CID103903195
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
SMILESCOc1ccc(C)cc1C(C)NCC1(C)CCC1
InChIInChI=1S/C16H25NO/c1-12-6-7-15(18-4)14(10-12)13(2)17-11-16(3)8-5-9-16/h6-7,10,13,17H,5,8-9,11H2,1-4H3
InChIKeyXJFQICRJSUHPSU-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902912
4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 104583343
5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 113429442
N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 113348858
1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60695784
N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527
N-[(2,4-dimethylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225415
3-[1-(2-methoxy-5-methylphenyl)ethylamino]propanenitrile
CID 43183220
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43098922
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 113262469
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine (CID 103903195) is 1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine is COc1ccc(C)cc1C(C)NCC1(C)CCC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
The InChIKey is XJFQICRJSUHPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-6-7-15(18-4)14(10-12)13(2)17-11-16(3)8-5-9-16/h6-7,10,13,17H,5,8-9,11H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine is sourced from PubChem (CID 103903195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).