(1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol

C15H25ClN2O — CID 103189805

IUPAC(1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol
SMILESCCN(c1ccc([C@@H](C)O)cc1Cl)C(C)CN(C)C
InChIInChI=1S/C15H25ClN2O/c1-6-18(11(2)10-17(4)5)15-8-7-13(12(3)19)9-14(15)16/h7-9,11-12,19H,6,10H2,1-5H3/t11?,12-/m1/s1
InChIKeyGISSLZLPHAPRKG-PIJUOVFKSA-N
MW284.83 g/mol
LogP3.17
Rot. Bonds6

About (1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol

(1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol (PubChem CID 103189805) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol
PubChem CID103189805
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name(1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol
SMILESCCN(c1ccc([C@@H](C)O)cc1Cl)C(C)CN(C)C
InChIInChI=1S/C15H25ClN2O/c1-6-18(11(2)10-17(4)5)15-8-7-13(12(3)19)9-14(15)16/h7-9,11-12,19H,6,10H2,1-5H3/t11?,12-/m1/s1
InChIKeyGISSLZLPHAPRKG-PIJUOVFKSA-N
XLogP3.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.17
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

3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarbothioamide
CID 103188991
(1S)-1-[3-chloro-4-[ethyl(2-methylpropyl)amino]phenyl]ethanol
CID 78939599
(1S)-1-[3-chloro-4-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 78955161
(1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol
CID 63540939
3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarboximidamide
CID 103189206
1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82950972
(1R)-1-[4-[butan-2-yl(butyl)amino]-3-chlorophenyl]ethanol
CID 55225345
1-[3-chloro-4-[2-hydroxyethyl(pentan-3-yl)amino]phenyl]ethanol
CID 62908529
(1R)-1-[3-chloro-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanol
CID 78940818
(1S)-1-[3-chloro-4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 78939886
(1R)-1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-pyridinyl]ethanol
CID 103189839
(1S)-1-[3-chloro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 63370881

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol (CID 103189805) is (1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol is CCN(c1ccc([C@@H](C)O)cc1Cl)C(C)CN(C)C.
What is the InChIKey of (1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol?
The InChIKey is GISSLZLPHAPRKG-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-6-18(11(2)10-17(4)5)15-8-7-13(12(3)19)9-14(15)16/h7-9,11-12,19H,6,10H2,1-5H3/t11?,12-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol?
(1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol has a molecular weight of 284.83 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol is sourced from PubChem (CID 103189805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).