2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine

C15H23NO — CID 65458581

IUPAC2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
SMILESCCNC(CC1CCC1)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO/c1-3-16-15(11-12-5-4-6-12)13-7-9-14(17-2)10-8-13/h7-10,12,15-16H,3-6,11H2,1-2H3
InChIKeyCESXRJGIMXMFQJ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.54
Rot. Bonds6

About 2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine

2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine (PubChem CID 65458581) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
PubChem CID65458581
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
SMILESCCNC(CC1CCC1)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO/c1-3-16-15(11-12-5-4-6-12)13-7-9-14(17-2)10-8-13/h7-10,12,15-16H,3-6,11H2,1-2H3
InChIKeyCESXRJGIMXMFQJ-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine
CID 103162893
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64628145
1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457634
1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105138866
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 103165731
2-cyclopentyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 105051728
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine
CID 104866403
N-ethyl-1-(4-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66392491
2-cyclopropyl-N-ethyl-1-pyridin-4-ylethanamine
CID 64906307

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine (CID 65458581) is 2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine is CCNC(CC1CCC1)c1ccc(OC)cc1.
What is the InChIKey of 2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine?
The InChIKey is CESXRJGIMXMFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-16-15(11-12-5-4-6-12)13-7-9-14(17-2)10-8-13/h7-10,12,15-16H,3-6,11H2,1-2H3.
What are the key properties of 2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine?
2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine has a molecular weight of 233.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 65458581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).