(1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol

C13H17Cl2NO — CID 94591374

IUPAC(1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol
SMILESO[C@H](CNC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c14-11-6-5-9(7-12(11)15)13(17)8-16-10-3-1-2-4-10/h5-7,10,13,16-17H,1-4,8H2/t13-/m1/s1
InChIKeyIDXZJXYCNPEGIL-CYBMUJFWSA-N
MW274.19 g/mol
LogP3.56
Rot. Bonds4

About (1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol

(1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol (PubChem CID 94591374) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is (1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol
PubChem CID94591374
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name(1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol
SMILESO[C@H](CNC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c14-11-6-5-9(7-12(11)15)13(17)8-16-10-3-1-2-4-10/h5-7,10,13,16-17H,1-4,8H2/t13-/m1/s1
InChIKeyIDXZJXYCNPEGIL-CYBMUJFWSA-N
XLogP3.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60900441
cyclooctyl-(3,4-dichlorophenyl)methanol
CID 65023087
(1S)-1-(4-chloro-3-fluorophenyl)-2-(oxan-4-ylamino)ethanol
CID 97328969
2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol
CID 63426977
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
CID 39350104
1-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)ethanol
CID 60896946
2-(cyclohexylamino)-1-(6-methyl-3-pyridinyl)ethanol
CID 56694973
5-[2-(cyclobutylamino)-1-hydroxyethyl]-2-ethylphenol
CID 153348387
2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol
CID 70463295
2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
1-(4-chlorophenyl)-2-[(4-methylcyclohexyl)amino]ethanol
CID 60724617

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol?
The IUPAC name of (1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol (CID 94591374) is (1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for (1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for (1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol is O[C@H](CNC1CCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol?
The InChIKey is IDXZJXYCNPEGIL-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-11-6-5-9(7-12(11)15)13(17)8-16-10-3-1-2-4-10/h5-7,10,13,16-17H,1-4,8H2/t13-/m1/s1.
What are the key properties of (1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol?
(1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol has a molecular weight of 274.19 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 94591374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).