(1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol

C13H18ClNO2 — CID 78940497

IUPAC(1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(CCO)C2CC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-9(17)10-2-5-13(12(14)8-10)15(6-7-16)11-3-4-11/h2,5,8-9,11,16-17H,3-4,6-7H2,1H3/t9-/m1/s1
InChIKeyJFWUEJVOQBILJO-SECBINFHSA-N
MW255.74 g/mol
LogP2.35
Rot. Bonds5

About (1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol

(1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol (PubChem CID 78940497) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol
PubChem CID78940497
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name(1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(CCO)C2CC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-9(17)10-2-5-13(12(14)8-10)15(6-7-16)11-3-4-11/h2,5,8-9,11,16-17H,3-4,6-7H2,1H3/t9-/m1/s1
InChIKeyJFWUEJVOQBILJO-SECBINFHSA-N
XLogP2.35
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol
CID 62909882
2-[4-[(1R)-1-aminoethyl]-2-chloro-N-cyclopentylanilino]ethanol
CID 63368770
2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol
CID 62911690
(1R)-1-[3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol
CID 64519994
2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol
CID 102863479
(1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
CID 78940583
(1S)-1-[3-chloro-4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 78939886
4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline
CID 78935924
(1S)-1-[3-chloro-4-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 55184297
1-[3-chloro-4-[2-hydroxyethyl(pentan-3-yl)amino]phenyl]ethanol
CID 62908529
(1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-nitrophenyl]ethanol
CID 63372699
3-[2-bromo-N-cyclobutyl-4-[(1S)-1-hydroxyethyl]anilino]propan-1-ol
CID 102864100

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol (CID 78940497) is (1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol is C[C@@H](O)c1ccc(N(CCO)C2CC2)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol?
The InChIKey is JFWUEJVOQBILJO-SECBINFHSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9(17)10-2-5-13(12(14)8-10)15(6-7-16)11-3-4-11/h2,5,8-9,11,16-17H,3-4,6-7H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol?
(1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol has a molecular weight of 255.74 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol is sourced from PubChem (CID 78940497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).