(1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol

C14H23NO2 — CID 55184841

IUPAC(1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol
SMILESCCCCN(CCO)c1ccc([C@@H](C)O)cc1
InChIInChI=1S/C14H23NO2/c1-3-4-9-15(10-11-16)14-7-5-13(6-8-14)12(2)17/h5-8,12,16-17H,3-4,9-11H2,1-2H3/t12-/m1/s1
InChIKeySWKUGNSUMKJGSW-GFCCVEGCSA-N
MW237.34 g/mol
LogP2.34
Rot. Bonds7

About (1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol

(1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol (PubChem CID 55184841) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol
PubChem CID55184841
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol
SMILESCCCCN(CCO)c1ccc([C@@H](C)O)cc1
InChIInChI=1S/C14H23NO2/c1-3-4-9-15(10-11-16)14-7-5-13(6-8-14)12(2)17/h5-8,12,16-17H,3-4,9-11H2,1-2H3/t12-/m1/s1
InChIKeySWKUGNSUMKJGSW-GFCCVEGCSA-N
XLogP2.34
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 63371070
2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol
CID 61446426
1-[4-[butyl(methyl)amino]phenyl]ethanol
CID 43505960
2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol
CID 22327727
1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
CID 61445859
(1S)-1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 104869553
[4-[bis(2-hydroxyethyl)amino]phenyl]-butylsulfanylmethanethiolate;gold(1+)
CID 59102068
1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol
CID 114066751
4-[butyl(2-hydroxyethyl)amino]benzenesulfonamide
CID 61448189
4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 15131768
4-[butyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide
CID 61448236
(1R)-1-[4-[bis(2-methylpropyl)amino]phenyl]ethanol
CID 78939931

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol (CID 55184841) is (1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol is CCCCN(CCO)c1ccc([C@@H](C)O)cc1.
What is the InChIKey of (1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol?
The InChIKey is SWKUGNSUMKJGSW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-4-9-15(10-11-16)14-7-5-13(6-8-14)12(2)17/h5-8,12,16-17H,3-4,9-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol?
(1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol has a molecular weight of 237.34 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol is sourced from PubChem (CID 55184841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).