2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol

C15H24N2O2 — CID 102860731

IUPAC2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol
SMILESCOc1ccc(CN(CCO)C2CCC2)cc1CN
InChIInChI=1S/C15H24N2O2/c1-19-15-6-5-12(9-13(15)10-16)11-17(7-8-18)14-3-2-4-14/h5-6,9,14,18H,2-4,7-8,10-11,16H2,1H3
InChIKeyBTOFHPZRRWYWEX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.50
Rot. Bonds7

About 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol

2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol (PubChem CID 102860731) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol
PubChem CID102860731
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol
SMILESCOc1ccc(CN(CCO)C2CCC2)cc1CN
InChIInChI=1S/C15H24N2O2/c1-19-15-6-5-12(9-13(15)10-16)11-17(7-8-18)14-3-2-4-14/h5-6,9,14,18H,2-4,7-8,10-11,16H2,1H3
InChIKeyBTOFHPZRRWYWEX-UHFFFAOYSA-N
XLogP1.50
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol
CID 107878292
2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 102676925
1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 60911414
2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
CID 54995976
2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol
CID 60694517
2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 60510272
2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
CID 62015858
2-[cyclopentyl-[(4-methoxyphenyl)methyl]amino]ethanol
CID 62015643
3-[3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 102869818
2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol
CID 54993281
2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
CID 60774401
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 106785333

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol?
The IUPAC name of 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol (CID 102860731) is 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol?
The canonical SMILES for 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol is COc1ccc(CN(CCO)C2CCC2)cc1CN.
What is the InChIKey of 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol?
The InChIKey is BTOFHPZRRWYWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-19-15-6-5-12(9-13(15)10-16)11-17(7-8-18)14-3-2-4-14/h5-6,9,14,18H,2-4,7-8,10-11,16H2,1H3.
What are the key properties of 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol?
2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol has a molecular weight of 264.37 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol is sourced from PubChem (CID 102860731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).