(1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol

C17H20ClNO — CID 78941110

IUPAC(1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol
SMILESCC(c1cccc(Cl)c1)N(C)c1ccccc1[C@@H](C)O
InChIInChI=1S/C17H20ClNO/c1-12(14-7-6-8-15(18)11-14)19(3)17-10-5-4-9-16(17)13(2)20/h4-13,20H,1-3H3/t12?,13-/m1/s1
InChIKeyCAAORNQELIALGT-ZGTCLIOFSA-N
MW289.81 g/mol
LogP4.59
Rot. Bonds4

About (1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol

(1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol (PubChem CID 78941110) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol
PubChem CID78941110
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol
SMILESCC(c1cccc(Cl)c1)N(C)c1ccccc1[C@@H](C)O
InChIInChI=1S/C17H20ClNO/c1-12(14-7-6-8-15(18)11-14)19(3)17-10-5-4-9-16(17)13(2)20/h4-13,20H,1-3H3/t12?,13-/m1/s1
InChIKeyCAAORNQELIALGT-ZGTCLIOFSA-N
XLogP4.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 63371731
(1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 63371150
2-bromo-1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylbenzene-1,4-diamine
CID 55187118
1-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 62980389
3-bromo-4-[1-(3-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
CID 82787154
2-[1-(3-chlorophenyl)ethyl-methylamino]-4-methylbenzenecarbothioamide
CID 63520669
1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol
CID 115940456
5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzoic acid
CID 62979618
(1S)-1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol
CID 103938724
5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide
CID 62979796
(1R)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]ethanol
CID 63371749
3-chloro-4-[1-(3-chlorophenyl)ethyl-methylamino]benzaldehyde
CID 81145827

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol?
The IUPAC name of (1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol (CID 78941110) is (1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol is CC(c1cccc(Cl)c1)N(C)c1ccccc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol?
The InChIKey is CAAORNQELIALGT-ZGTCLIOFSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12(14-7-6-8-15(18)11-14)19(3)17-10-5-4-9-16(17)13(2)20/h4-13,20H,1-3H3/t12?,13-/m1/s1.
What are the key properties of (1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol?
(1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol has a molecular weight of 289.81 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol is sourced from PubChem (CID 78941110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).