(1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol

C15H25NO — CID 79477163

IUPAC(1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol
SMILESCCC(C)CN(CC)c1ccccc1[C@H](C)O
InChIInChI=1S/C15H25NO/c1-5-12(3)11-16(6-2)15-10-8-7-9-14(15)13(4)17/h7-10,12-13,17H,5-6,11H2,1-4H3/t12?,13-/m0/s1
InChIKeyZHEQGOMDDGLKEP-ABLWVSNPSA-N
MW235.37 g/mol
LogP3.61
Rot. Bonds6

About (1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol

(1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol (PubChem CID 79477163) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol
PubChem CID79477163
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol
SMILESCCC(C)CN(CC)c1ccccc1[C@H](C)O
InChIInChI=1S/C15H25NO/c1-5-12(3)11-16(6-2)15-10-8-7-9-14(15)13(4)17/h7-10,12-13,17H,5-6,11H2,1-4H3/t12?,13-/m0/s1
InChIKeyZHEQGOMDDGLKEP-ABLWVSNPSA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386990
1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol
CID 114056156
(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 63955607
1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol
CID 43510195
2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 63371338
(1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol
CID 55226911
2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline
CID 79481188
(1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol
CID 107399653
(1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol
CID 78939531
(1R)-1-[2-[ethyl(furan-2-ylmethyl)amino]phenyl]ethanol
CID 55183202
N-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline
CID 79481296
1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 61436988

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol (CID 79477163) is (1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol is CCC(C)CN(CC)c1ccccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol?
The InChIKey is ZHEQGOMDDGLKEP-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-12(3)11-16(6-2)15-10-8-7-9-14(15)13(4)17/h7-10,12-13,17H,5-6,11H2,1-4H3/t12?,13-/m0/s1.
What are the key properties of (1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol?
(1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol has a molecular weight of 235.37 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol is sourced from PubChem (CID 79477163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).