(1R)-1-[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]ethanol

C14H22ClNO2 — CID 63364400

IUPAC(1R)-1-[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]ethanol
SMILESCCN(CC)CCOc1ccc(Cl)cc1[C@@H](C)O
InChIInChI=1S/C14H22ClNO2/c1-4-16(5-2)8-9-18-14-7-6-12(15)10-13(14)11(3)17/h6-7,10-11,17H,4-5,8-9H2,1-3H3/t11-/m1/s1
InChIKeyUBHJPNDQIXWZTC-LLVKDONJSA-N
MW271.79 g/mol
LogP3.11
Rot. Bonds7

About (1R)-1-[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]ethanol

(1R)-1-[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]ethanol (PubChem CID 63364400) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is (1R)-1-[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]ethanol
PubChem CID63364400
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name(1R)-1-[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]ethanol
SMILESCCN(CC)CCOc1ccc(Cl)cc1[C@@H](C)O
InChIInChI=1S/C14H22ClNO2/c1-4-16(5-2)8-9-18-14-7-6-12(15)10-13(14)11(3)17/h6-7,10-11,17H,4-5,8-9H2,1-3H3/t11-/m1/s1
InChIKeyUBHJPNDQIXWZTC-LLVKDONJSA-N
XLogP3.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533676
(1S)-1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533695
(1S)-1-(5-chloro-2-decoxyphenyl)ethanol
CID 78944253
(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol
CID 78931549
1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol
CID 65175757
(1S)-1-[5-chloro-2-(4-methoxybutoxy)phenyl]ethanol
CID 104648019
(1S)-1-[5-chloro-2-(3-fluoropropoxy)phenyl]ethanol
CID 81113981
(1S)-1-[5-chloro-2-(3-methoxypropoxy)phenyl]ethanol
CID 78931460
(1S)-1-[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
CID 63364452
(1S)-1-[5-chloro-2-(3,3-dimethylbutoxy)phenyl]ethanol
CID 78931515
(1S)-1-[5-chloro-2-(3-methylbut-3-enoxy)phenyl]ethanol
CID 104929578

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]ethanol (CID 63364400) is (1R)-1-[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]ethanol is CCN(CC)CCOc1ccc(Cl)cc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]ethanol?
The InChIKey is UBHJPNDQIXWZTC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-4-16(5-2)8-9-18-14-7-6-12(15)10-13(14)11(3)17/h6-7,10-11,17H,4-5,8-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]ethanol?
(1R)-1-[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]ethanol has a molecular weight of 271.79 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]ethanol is sourced from PubChem (CID 63364400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).