(1S)-1-[2-[cyclobutyl(methyl)amino]-6-methoxyphenyl]ethanol

C14H21NO2 — CID 104873566

IUPAC(1S)-1-[2-[cyclobutyl(methyl)amino]-6-methoxyphenyl]ethanol
SMILESCOc1cccc(N(C)C2CCC2)c1[C@H](C)O
InChIInChI=1S/C14H21NO2/c1-10(16)14-12(8-5-9-13(14)17-3)15(2)11-6-4-7-11/h5,8-11,16H,4,6-7H2,1-3H3/t10-/m0/s1
InChIKeyJBNUGFJWJBSVFI-JTQLQIEISA-N
MW235.33 g/mol
LogP2.74
Rot. Bonds4

About (1S)-1-[2-[cyclobutyl(methyl)amino]-6-methoxyphenyl]ethanol

(1S)-1-[2-[cyclobutyl(methyl)amino]-6-methoxyphenyl]ethanol (PubChem CID 104873566) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (1S)-1-[2-[cyclobutyl(methyl)amino]-6-methoxyphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[cyclobutyl(methyl)amino]-6-methoxyphenyl]ethanol
PubChem CID104873566
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(1S)-1-[2-[cyclobutyl(methyl)amino]-6-methoxyphenyl]ethanol
SMILESCOc1cccc(N(C)C2CCC2)c1[C@H](C)O
InChIInChI=1S/C14H21NO2/c1-10(16)14-12(8-5-9-13(14)17-3)15(2)11-6-4-7-11/h5,8-11,16H,4,6-7H2,1-3H3/t10-/m0/s1
InChIKeyJBNUGFJWJBSVFI-JTQLQIEISA-N
XLogP2.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[2-[cyclobutyl(methyl)amino]-6-methoxyphenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclobutyl-2-methoxy-N-methylaniline
CID 142063552
(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol
CID 78939265
1-[[2-(1-hydroxyethyl)-3-methoxy-N-methylanilino]methyl]cyclopentan-1-ol
CID 114950299
2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol
CID 102632563
4-[[2-[(1R)-1-hydroxyethyl]-3-methoxy-N-methylanilino]methyl]oxan-4-ol
CID 104985511
(1S)-1-[2-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370690
(1R)-1-[2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 63371251
2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline
CID 104873538
(1R)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol
CID 82742056
(1S)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol
CID 82742145
(1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol
CID 103498594
N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 43614150

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[cyclobutyl(methyl)amino]-6-methoxyphenyl]ethanol?
The IUPAC name of (1S)-1-[2-[cyclobutyl(methyl)amino]-6-methoxyphenyl]ethanol (CID 104873566) is (1S)-1-[2-[cyclobutyl(methyl)amino]-6-methoxyphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[cyclobutyl(methyl)amino]-6-methoxyphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[cyclobutyl(methyl)amino]-6-methoxyphenyl]ethanol is COc1cccc(N(C)C2CCC2)c1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-[cyclobutyl(methyl)amino]-6-methoxyphenyl]ethanol?
The InChIKey is JBNUGFJWJBSVFI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(16)14-12(8-5-9-13(14)17-3)15(2)11-6-4-7-11/h5,8-11,16H,4,6-7H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-[cyclobutyl(methyl)amino]-6-methoxyphenyl]ethanol?
(1S)-1-[2-[cyclobutyl(methyl)amino]-6-methoxyphenyl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[cyclobutyl(methyl)amino]-6-methoxyphenyl]ethanol is sourced from PubChem (CID 104873566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).