(1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol

C14H23NO — CID 63371150

IUPAC(1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
SMILESCC(C)C(C)N(C)c1ccccc1[C@H](C)O
InChIInChI=1S/C14H23NO/c1-10(2)11(3)15(5)14-9-7-6-8-13(14)12(4)16/h6-12,16H,1-5H3/t11?,12-/m0/s1
InChIKeyFDZHOLOAXGZVRV-KIYNQFGBSA-N
MW221.34 g/mol
LogP3.22
Rot. Bonds4

About (1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol

(1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol (PubChem CID 63371150) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
PubChem CID63371150
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
SMILESCC(C)C(C)N(C)c1ccccc1[C@H](C)O
InChIInChI=1S/C14H23NO/c1-10(2)11(3)15(5)14-9-7-6-8-13(14)12(4)16/h6-12,16H,1-5H3/t11?,12-/m0/s1
InChIKeyFDZHOLOAXGZVRV-KIYNQFGBSA-N
XLogP3.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol
CID 78939770
(1R)-1-[2-[methyl(pentan-2-yl)amino]phenyl]ethanol
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(1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 63371731
1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol
CID 112661774
(1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol
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1-[2-fluoro-6-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 43570328
(1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 78941110
4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol
CID 104869306
(1S)-1-[2-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370690
(1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol
CID 78948192
1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol
CID 79386807
(1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol
CID 78939531

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol (CID 63371150) is (1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol is CC(C)C(C)N(C)c1ccccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol?
The InChIKey is FDZHOLOAXGZVRV-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)11(3)15(5)14-9-7-6-8-13(14)12(4)16/h6-12,16H,1-5H3/t11?,12-/m0/s1.
What are the key properties of (1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol?
(1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol has a molecular weight of 221.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol is sourced from PubChem (CID 63371150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).