(1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol

C16H26ClNO — CID 63540939

IUPAC(1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol
SMILESCCC(CC)CN(CC)c1ccc([C@@H](C)O)cc1Cl
InChIInChI=1S/C16H26ClNO/c1-5-13(6-2)11-18(7-3)16-9-8-14(12(4)19)10-15(16)17/h8-10,12-13,19H,5-7,11H2,1-4H3/t12-/m1/s1
InChIKeyFKJMCUBPIPXPQL-GFCCVEGCSA-N
MW283.84 g/mol
LogP4.66
Rot. Bonds7

About (1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol

(1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol (PubChem CID 63540939) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol
PubChem CID63540939
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name(1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol
SMILESCCC(CC)CN(CC)c1ccc([C@@H](C)O)cc1Cl
InChIInChI=1S/C16H26ClNO/c1-5-13(6-2)11-18(7-3)16-9-8-14(12(4)19)10-15(16)17/h8-10,12-13,19H,5-7,11H2,1-4H3/t12-/m1/s1
InChIKeyFKJMCUBPIPXPQL-GFCCVEGCSA-N
XLogP4.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[3-chloro-4-[ethyl(2-methylpropyl)amino]phenyl]ethanol
CID 78939599
1-[3-bromo-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol
CID 63541259
(1S)-1-[3-chloro-4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 78939886
(1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 78954482
2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940268
2-[2-chloro-N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-N-propan-2-ylacetamide
CID 63371225
(1S)-1-[3-chloro-4-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 55184297
4-[(1R)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-methylbutyl)aniline
CID 79477437
(1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol
CID 103189805
(1S)-1-[4-[bis(prop-2-enyl)amino]-3-chlorophenyl]ethanol
CID 78939072
(1R)-1-[3-chloro-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanol
CID 78940818
(1S)-1-[3-chloro-4-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 78955161

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol (CID 63540939) is (1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol is CCC(CC)CN(CC)c1ccc([C@@H](C)O)cc1Cl.
What is the InChIKey of (1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol?
The InChIKey is FKJMCUBPIPXPQL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-5-13(6-2)11-18(7-3)16-9-8-14(12(4)19)10-15(16)17/h8-10,12-13,19H,5-7,11H2,1-4H3/t12-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol?
(1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol has a molecular weight of 283.84 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol is sourced from PubChem (CID 63540939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).