2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol

C18H23NO — CID 62861024

IUPAC2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol
SMILESCN(CC1CCC1)CC(O)c1cccc2ccccc12
InChIInChI=1S/C18H23NO/c1-19(12-14-6-4-7-14)13-18(20)17-11-5-9-15-8-2-3-10-16(15)17/h2-3,5,8-11,14,18,20H,4,6-7,12-13H2,1H3
InChIKeyGNVVLNRDMOUHOK-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.61
Rot. Bonds5

About 2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol

2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol (PubChem CID 62861024) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol.

Molecular Properties

Compound Name2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol
PubChem CID62861024
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol
SMILESCN(CC1CCC1)CC(O)c1cccc2ccccc12
InChIInChI=1S/C18H23NO/c1-19(12-14-6-4-7-14)13-18(20)17-11-5-9-15-8-2-3-10-16(15)17/h2-3,5,8-11,14,18,20H,4,6-7,12-13H2,1H3
InChIKeyGNVVLNRDMOUHOK-UHFFFAOYSA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol
CID 62860027
2-[3-(dimethylamino)propyl-methylamino]-1-naphthalen-1-ylethanol
CID 63700824
1-(1-benzofuran-2-yl)-2-[cyclopentylmethyl(methyl)amino]ethanol
CID 63631810
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 55125907
2-[cyclobutylmethyl(methyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565104
3-[cyclobutylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679956
1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol
CID 111456975
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol
CID 104968503
1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
CID 63712480
3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997137
4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 62861851

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol?
The IUPAC name of 2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol (CID 62861024) is 2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol.
What is the SMILES notation for 2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol?
The canonical SMILES for 2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol is CN(CC1CCC1)CC(O)c1cccc2ccccc12.
What is the InChIKey of 2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol?
The InChIKey is GNVVLNRDMOUHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-19(12-14-6-4-7-14)13-18(20)17-11-5-9-15-8-2-3-10-16(15)17/h2-3,5,8-11,14,18,20H,4,6-7,12-13H2,1H3.
What are the key properties of 2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol?
2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol has a molecular weight of 269.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol is sourced from PubChem (CID 62861024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).