1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine

C15H23NO — CID 115714644

IUPAC1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc(C(C)NC(C)C2CCC2)cc1
InChIInChI=1S/C15H23NO/c1-11(13-5-4-6-13)16-12(2)14-7-9-15(17-3)10-8-14/h7-13,16H,4-6H2,1-3H3
InChIKeyBBMGFNVLDKQHMZ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.53
Rot. Bonds5

About 1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine

1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine (PubChem CID 115714644) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine
PubChem CID115714644
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc(C(C)NC(C)C2CCC2)cc1
InChIInChI=1S/C15H23NO/c1-11(13-5-4-6-13)16-12(2)14-7-9-15(17-3)10-8-14/h7-13,16H,4-6H2,1-3H3
InChIKeyBBMGFNVLDKQHMZ-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 81371064
1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 115708071
1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine
CID 104866403
(1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine
CID 81389755
N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 81389074
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 55097109
(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 81389876
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
4-[1-(1-cyclohexylethylamino)ethyl]phenol
CID 62405535
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine?
The IUPAC name of 1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine (CID 115714644) is 1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine?
The canonical SMILES for 1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine is COc1ccc(C(C)NC(C)C2CCC2)cc1.
What is the InChIKey of 1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine?
The InChIKey is BBMGFNVLDKQHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(13-5-4-6-13)16-12(2)14-7-9-15(17-3)10-8-14/h7-13,16H,4-6H2,1-3H3.
What are the key properties of 1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine?
1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine has a molecular weight of 233.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 115714644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).