2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol

C16H16Cl3NO — CID 81355780

IUPAC2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol
SMILESC[C@H](NCC(O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl3NO/c1-10(11-2-4-12(17)5-3-11)20-9-16(21)14-8-13(18)6-7-15(14)19/h2-8,10,16,20-21H,9H2,1H3/t10-,16?/m0/s1
InChIKeyJWFGQPYXPCONEC-VQVVDHBBSA-N
MW344.67 g/mol
LogP5.03
Rot. Bonds5

About 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol (PubChem CID 81355780) has the molecular formula C16H16Cl3NO and a molecular weight of 344.67 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol
PubChem CID81355780
Molecular FormulaC16H16Cl3NO
Molecular Weight344.67 g/mol
Exact Mass343.03
IUPAC Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol
SMILESC[C@H](NCC(O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl3NO/c1-10(11-2-4-12(17)5-3-11)20-9-16(21)14-8-13(18)6-7-15(14)19/h2-8,10,16,20-21H,9H2,1H3/t10-,16?/m0/s1
InChIKeyJWFGQPYXPCONEC-VQVVDHBBSA-N
XLogP5.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.67
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol
CID 60980063
1-(2,5-dichlorophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]ethanol
CID 61473675
(2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082097
(2S)-1-[1-(2,5-dichlorophenyl)ethylamino]propan-2-ol
CID 103906527
1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol
CID 55261148
1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol
CID 60897086
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
1-(2,5-difluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60980572
1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol
CID 81347558
2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714730
1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol
CID 62118576
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol
CID 81356620

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol (CID 81355780) is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol is C[C@H](NCC(O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol?
The InChIKey is JWFGQPYXPCONEC-VQVVDHBBSA-N. The full InChI is InChI=1S/C16H16Cl3NO/c1-10(11-2-4-12(17)5-3-11)20-9-16(21)14-8-13(18)6-7-15(14)19/h2-8,10,16,20-21H,9H2,1H3/t10-,16?/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol?
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol has a molecular weight of 344.67 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 81355780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).