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

C14H23NO — CID 43510195

IUPAC1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol
SMILESCCC(C)N(CC)c1ccccc1C(C)O
InChIInChI=1S/C14H23NO/c1-5-11(3)15(6-2)14-10-8-7-9-13(14)12(4)16/h7-12,16H,5-6H2,1-4H3
InChIKeyHCUGIASWHLBUHW-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.36
Rot. Bonds5

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

1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol (PubChem CID 43510195) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol
PubChem CID43510195
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol
SMILESCCC(C)N(CC)c1ccccc1C(C)O
InChIInChI=1S/C14H23NO/c1-5-11(3)15(6-2)14-10-8-7-9-13(14)12(4)16/h7-12,16H,5-6H2,1-4H3
InChIKeyHCUGIASWHLBUHW-UHFFFAOYSA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol
CID 78939531
N-butan-2-yl-N-ethyl-2-[1-(methylamino)ethyl]aniline
CID 43284716
(1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol
CID 103959999
(1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol
CID 78939770
(1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol
CID 79477163
(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol
CID 103959740
1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol
CID 43506187
(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol
CID 103959967
(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
CID 78940775
(1R)-1-[2-[methyl(pentan-2-yl)amino]phenyl]ethanol
CID 78939754
1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386990
(1R)-1-[2-[ethyl(furan-2-ylmethyl)amino]phenyl]ethanol
CID 55183202

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol?
The IUPAC name of 1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol (CID 43510195) is 1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol is CCC(C)N(CC)c1ccccc1C(C)O.
What is the InChIKey of 1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol?
The InChIKey is HCUGIASWHLBUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-11(3)15(6-2)14-10-8-7-9-13(14)12(4)16/h7-12,16H,5-6H2,1-4H3.
What are the key properties of 1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol?
1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol has a molecular weight of 221.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol is sourced from PubChem (CID 43510195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).