(1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol

C13H21NO — CID 78939531

IUPAC(1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol
SMILESCCN(c1ccccc1[C@@H](C)O)C(C)C
InChIInChI=1S/C13H21NO/c1-5-14(10(2)3)13-9-7-6-8-12(13)11(4)15/h6-11,15H,5H2,1-4H3/t11-/m1/s1
InChIKeyWXCSIHKBMUOKOH-LLVKDONJSA-N
MW207.32 g/mol
LogP2.97
Rot. Bonds4

About (1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol

(1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol (PubChem CID 78939531) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol
PubChem CID78939531
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol
SMILESCCN(c1ccccc1[C@@H](C)O)C(C)C
InChIInChI=1S/C13H21NO/c1-5-14(10(2)3)13-9-7-6-8-12(13)11(4)15/h6-11,15H,5H2,1-4H3/t11-/m1/s1
InChIKeyWXCSIHKBMUOKOH-LLVKDONJSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol
CID 43510195
(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
CID 78940775
(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol
CID 103959740
(1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 113358988
(1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol
CID 78939770
2-(1-aminoethyl)-N-propan-2-yl-N-propylaniline
CID 43269689
(1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 103960325
(1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol
CID 79477163
(1S)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 78939528
(1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 63370786
(1R)-1-[2-[methyl(pentan-2-yl)amino]phenyl]ethanol
CID 78939754
2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol
CID 78935304

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol (CID 78939531) is (1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol is CCN(c1ccccc1[C@@H](C)O)C(C)C.
What is the InChIKey of (1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol?
The InChIKey is WXCSIHKBMUOKOH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-14(10(2)3)13-9-7-6-8-12(13)11(4)15/h6-11,15H,5H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol?
(1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol has a molecular weight of 207.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol is sourced from PubChem (CID 78939531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).