2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine

C14H21NO — CID 82024046

IUPAC2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
SMILESCOc1ccc(C(CN)C2CCC2)cc1C
InChIInChI=1S/C14H21NO/c1-10-8-12(6-7-14(10)16-2)13(9-15)11-4-3-5-11/h6-8,11,13H,3-5,9,15H2,1-2H3
InChIKeyXCDKRAMNKADVAV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.85
Rot. Bonds4

About 2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine

2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine (PubChem CID 82024046) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
PubChem CID82024046
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
SMILESCOc1ccc(C(CN)C2CCC2)cc1C
InChIInChI=1S/C14H21NO/c1-10-8-12(6-7-14(10)16-2)13(9-15)11-4-3-5-11/h6-8,11,13H,3-5,9,15H2,1-2H3
InChIKeyXCDKRAMNKADVAV-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride
CID 171213709
2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine
CID 82093055
2-(4-methoxy-3-methylphenyl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 83986819
3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 112515939
2-cyclobutyl-2-(4-methylphenyl)ethanamine
CID 55269565
2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine
CID 83973829
[chloro-(4-methoxy-3-methylphenyl)methyl]cyclooctane
CID 65020691
[bromo-(4-methoxy-3-methylphenyl)methyl]cyclooctane
CID 65020989
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine
CID 55269434
1-(4-methoxy-3-methylphenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62133166
2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 83973600

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine?
The IUPAC name of 2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine (CID 82024046) is 2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine?
The canonical SMILES for 2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine is COc1ccc(C(CN)C2CCC2)cc1C.
What is the InChIKey of 2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine?
The InChIKey is XCDKRAMNKADVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-8-12(6-7-14(10)16-2)13(9-15)11-4-3-5-11/h6-8,11,13H,3-5,9,15H2,1-2H3.
What are the key properties of 2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine?
2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine is sourced from PubChem (CID 82024046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).