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

C17H20ClNO — CID 63371731

IUPAC(1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol
SMILESCC(c1ccccc1Cl)N(C)c1ccccc1[C@H](C)O
InChIInChI=1S/C17H20ClNO/c1-12(14-8-4-6-10-16(14)18)19(3)17-11-7-5-9-15(17)13(2)20/h4-13,20H,1-3H3/t12?,13-/m0/s1
InChIKeySHQMIWGMHUYKNC-ABLWVSNPSA-N
MW289.81 g/mol
LogP4.59
Rot. Bonds4

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

(1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol (PubChem CID 63371731) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol
PubChem CID63371731
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol
SMILESCC(c1ccccc1Cl)N(C)c1ccccc1[C@H](C)O
InChIInChI=1S/C17H20ClNO/c1-12(14-8-4-6-10-16(14)18)19(3)17-11-7-5-9-15(17)13(2)20/h4-13,20H,1-3H3/t12?,13-/m0/s1
InChIKeySHQMIWGMHUYKNC-ABLWVSNPSA-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

(1R)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]-5-fluorophenyl]ethanol
CID 63371749
(1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 78941110
(1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 63371150
2-chloro-6-[1-(2-chlorophenyl)ethyl-methylamino]benzonitrile
CID 63510170
(1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol
CID 78939770
2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
CID 63783609
(1R)-1-[2-[methyl(pentan-2-yl)amino]phenyl]ethanol
CID 78939754
2-bromo-6-[1-(2-chlorophenyl)ethyl-methylamino]benzenecarbothioamide
CID 114882370
1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol
CID 112661774
4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 55141046
(1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol
CID 78940310
[4-[1-(2-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 81238920

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol (CID 63371731) is (1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol is CC(c1ccccc1Cl)N(C)c1ccccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol?
The InChIKey is SHQMIWGMHUYKNC-ABLWVSNPSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12(14-8-4-6-10-16(14)18)19(3)17-11-7-5-9-15(17)13(2)20/h4-13,20H,1-3H3/t12?,13-/m0/s1.
What are the key properties of (1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol?
(1S)-1-[2-[1-(2-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 (1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol is sourced from PubChem (CID 63371731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).