(1R)-1-[3-chloro-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanol

C15H25ClN2O — CID 78940818

IUPAC(1R)-1-[3-chloro-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanol
SMILESCCCN(CCN(C)C)c1ccc([C@@H](C)O)cc1Cl
InChIInChI=1S/C15H25ClN2O/c1-5-8-18(10-9-17(3)4)15-7-6-13(12(2)19)11-14(15)16/h6-7,11-12,19H,5,8-10H2,1-4H3/t12-/m1/s1
InChIKeyGXEQPANWMXBPQC-GFCCVEGCSA-N
MW284.83 g/mol
LogP3.17
Rot. Bonds7

About (1R)-1-[3-chloro-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanol

(1R)-1-[3-chloro-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanol (PubChem CID 78940818) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanol
PubChem CID78940818
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name(1R)-1-[3-chloro-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanol
SMILESCCCN(CCN(C)C)c1ccc([C@@H](C)O)cc1Cl
InChIInChI=1S/C15H25ClN2O/c1-5-8-18(10-9-17(3)4)15-7-6-13(12(2)19)11-14(15)16/h6-7,11-12,19H,5,8-10H2,1-4H3/t12-/m1/s1
InChIKeyGXEQPANWMXBPQC-GFCCVEGCSA-N
XLogP3.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

(1S)-1-[3-chloro-4-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 55184297
(1S)-1-[3-chloro-4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 78939886
(1S)-1-[3-chloro-4-[ethyl(2-methylpropyl)amino]phenyl]ethanol
CID 78939599
3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzoic acid
CID 63088812
3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzonitrile
CID 63087550
(1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol
CID 63540939
(1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol
CID 103189805
1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol
CID 62910072
2-[N-butyl-2-chloro-4-[(1R)-1-hydroxyethyl]anilino]acetamide
CID 78940689
(1S)-1-[4-[bis(prop-2-enyl)amino]-3-chlorophenyl]ethanol
CID 78939072
(1R)-1-[4-[butan-2-yl(butyl)amino]-3-chlorophenyl]ethanol
CID 55225345
(1S)-1-[3-chloro-4-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 78955161

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanol (CID 78940818) is (1R)-1-[3-chloro-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanol is CCCN(CCN(C)C)c1ccc([C@@H](C)O)cc1Cl.
What is the InChIKey of (1R)-1-[3-chloro-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanol?
The InChIKey is GXEQPANWMXBPQC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-5-8-18(10-9-17(3)4)15-7-6-13(12(2)19)11-14(15)16/h6-7,11-12,19H,5,8-10H2,1-4H3/t12-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanol?
(1R)-1-[3-chloro-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanol has a molecular weight of 284.83 g/mol, XLogP of 3.17, 7 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-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanol is sourced from PubChem (CID 78940818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).