1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol

C15H24N2O — CID 62860027

IUPAC1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol
SMILESCN(CC1CCC1)CC(O)c1ccc(CN)cc1
InChIInChI=1S/C15H24N2O/c1-17(10-13-3-2-4-13)11-15(18)14-7-5-12(9-16)6-8-14/h5-8,13,15,18H,2-4,9-11,16H2,1H3
InChIKeyBZSWPEIVZYUKIV-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.91
Rot. Bonds6

About 1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol

1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol (PubChem CID 62860027) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol
PubChem CID62860027
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol
SMILESCN(CC1CCC1)CC(O)c1ccc(CN)cc1
InChIInChI=1S/C15H24N2O/c1-17(10-13-3-2-4-13)11-15(18)14-7-5-12(9-16)6-8-14/h5-8,13,15,18H,2-4,9-11,16H2,1H3
InChIKeyBZSWPEIVZYUKIV-UHFFFAOYSA-N
XLogP1.91
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 55125907
2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
CID 63631981
2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
CID 63471920
4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 62861851
2-[cyclopropylmethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949285
2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949329
2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol
CID 111114250
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
CID 63713345
2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol
CID 62861024
4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 54884021
1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 43575790

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol (CID 62860027) is 1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol is CN(CC1CCC1)CC(O)c1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol?
The InChIKey is BZSWPEIVZYUKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(10-13-3-2-4-13)11-15(18)14-7-5-12(9-16)6-8-14/h5-8,13,15,18H,2-4,9-11,16H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol?
1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol has a molecular weight of 248.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol is sourced from PubChem (CID 62860027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).