1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol

C14H22ClNO2 — CID 82950972

IUPAC1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
SMILESCOCCN(c1ccc(C(C)O)cc1Cl)C(C)C
InChIInChI=1S/C14H22ClNO2/c1-10(2)16(7-8-18-4)14-6-5-12(11(3)17)9-13(14)15/h5-6,9-11,17H,7-8H2,1-4H3
InChIKeyLMZCCJGLHICZMC-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.25
Rot. Bonds6

About 1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol

1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol (PubChem CID 82950972) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
PubChem CID82950972
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
SMILESCOCCN(c1ccc(C(C)O)cc1Cl)C(C)C
InChIInChI=1S/C14H22ClNO2/c1-10(2)16(7-8-18-4)14-6-5-12(11(3)17)9-13(14)15/h5-6,9-11,17H,7-8H2,1-4H3
InChIKeyLMZCCJGLHICZMC-UHFFFAOYSA-N
XLogP3.25
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.25
H-Bond Donors ≤ 51
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

(1R)-1-[3-chloro-4-[2-methoxyethyl(methyl)amino]phenyl]ethanol
CID 63371408
(1S)-1-[3-bromo-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82950797
1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol
CID 62910072
(1S)-1-[3-chloro-4-[3-methoxypropyl(methyl)amino]phenyl]ethanol
CID 55184861
(1S)-1-[4-[2-methoxyethyl(propan-2-yl)amino]-3-nitrophenyl]ethanol
CID 82951161
(1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82951638
(1R)-1-[3-bromo-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanol
CID 63372750
2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-4-[1-(methylamino)ethyl]aniline
CID 62913078
(1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol
CID 103189805
(1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 78940624
1-[3-chloro-4-[2-hydroxyethyl(pentan-3-yl)amino]phenyl]ethanol
CID 62908529
(1R)-1-[4-[butan-2-yl(butyl)amino]-3-chlorophenyl]ethanol
CID 55225345

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol (CID 82950972) is 1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol is COCCN(c1ccc(C(C)O)cc1Cl)C(C)C.
What is the InChIKey of 1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol?
The InChIKey is LMZCCJGLHICZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-10(2)16(7-8-18-4)14-6-5-12(11(3)17)9-13(14)15/h5-6,9-11,17H,7-8H2,1-4H3.
What are the key properties of 1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol?
1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol has a molecular weight of 271.79 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol is sourced from PubChem (CID 82950972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).