(1S)-1-[3-chloro-4-(N-ethyl-2-methylanilino)phenyl]ethanol

C17H20ClNO — CID 78944650

IUPAC(1S)-1-[3-chloro-4-(N-ethyl-2-methylanilino)phenyl]ethanol
SMILESCCN(c1ccccc1C)c1ccc([C@H](C)O)cc1Cl
InChIInChI=1S/C17H20ClNO/c1-4-19(16-8-6-5-7-12(16)2)17-10-9-14(13(3)20)11-15(17)18/h5-11,13,20H,4H2,1-3H3/t13-/m0/s1
InChIKeyYBAWDGIICMLEIO-ZDUSSCGKSA-N
MW289.81 g/mol
LogP4.86
Rot. Bonds4

About (1S)-1-[3-chloro-4-(N-ethyl-2-methylanilino)phenyl]ethanol

(1S)-1-[3-chloro-4-(N-ethyl-2-methylanilino)phenyl]ethanol (PubChem CID 78944650) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (1S)-1-[3-chloro-4-(N-ethyl-2-methylanilino)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-chloro-4-(N-ethyl-2-methylanilino)phenyl]ethanol
PubChem CID78944650
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(1S)-1-[3-chloro-4-(N-ethyl-2-methylanilino)phenyl]ethanol
SMILESCCN(c1ccccc1C)c1ccc([C@H](C)O)cc1Cl
InChIInChI=1S/C17H20ClNO/c1-4-19(16-8-6-5-7-12(16)2)17-10-9-14(13(3)20)11-15(17)18/h5-11,13,20H,4H2,1-3H3/t13-/m0/s1
InChIKeyYBAWDGIICMLEIO-ZDUSSCGKSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-bromo-4-(N-ethyl-2-methylanilino)phenyl]ethanol
CID 78944645
2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine
CID 29039749
1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol
CID 62911155
4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline
CID 81165834
4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-fluorophenyl)aniline
CID 78935061
(1S)-1-[3-chloro-4-[ethyl(2-methylpropyl)amino]phenyl]ethanol
CID 78939599
(1S)-1-[3-chloro-4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 78939886
1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanol
CID 82969724
(1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol
CID 103189805
(1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol
CID 63540939
3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine
CID 104833908
4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63540061

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-4-(N-ethyl-2-methylanilino)phenyl]ethanol?
The IUPAC name of (1S)-1-[3-chloro-4-(N-ethyl-2-methylanilino)phenyl]ethanol (CID 78944650) is (1S)-1-[3-chloro-4-(N-ethyl-2-methylanilino)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-chloro-4-(N-ethyl-2-methylanilino)phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-chloro-4-(N-ethyl-2-methylanilino)phenyl]ethanol is CCN(c1ccccc1C)c1ccc([C@H](C)O)cc1Cl.
What is the InChIKey of (1S)-1-[3-chloro-4-(N-ethyl-2-methylanilino)phenyl]ethanol?
The InChIKey is YBAWDGIICMLEIO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-4-19(16-8-6-5-7-12(16)2)17-10-9-14(13(3)20)11-15(17)18/h5-11,13,20H,4H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[3-chloro-4-(N-ethyl-2-methylanilino)phenyl]ethanol?
(1S)-1-[3-chloro-4-(N-ethyl-2-methylanilino)phenyl]ethanol has a molecular weight of 289.81 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-chloro-4-(N-ethyl-2-methylanilino)phenyl]ethanol is sourced from PubChem (CID 78944650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).