2-[3-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]phenol

C20H24ClNO2 — CID 54070827

IUPAC2-[3-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]phenol
SMILESOc1ccccc1C1CCCC(NC[C@H](O)c2cccc(Cl)c2)C1
InChIInChI=1S/C20H24ClNO2/c21-16-7-3-6-15(11-16)20(24)13-22-17-8-4-5-14(12-17)18-9-1-2-10-19(18)23/h1-3,6-7,9-11,14,17,20,22-24H,4-5,8,12-13H2/t14?,17?,20-/m0/s1
InChIKeyMGHWBSJKROXPJM-GAGFWEIESA-N
MW345.87 g/mol
LogP4.39
Rot. Bonds5

About 2-[3-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]phenol

2-[3-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]phenol (PubChem CID 54070827) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-[3-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]phenol.

Molecular Properties

Compound Name2-[3-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]phenol
PubChem CID54070827
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name2-[3-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]phenol
SMILESOc1ccccc1C1CCCC(NC[C@H](O)c2cccc(Cl)c2)C1
InChIInChI=1S/C20H24ClNO2/c21-16-7-3-6-15(11-16)20(24)13-22-17-8-4-5-14(12-17)18-9-1-2-10-19(18)23/h1-3,6-7,9-11,14,17,20,22-24H,4-5,8,12-13H2/t14?,17?,20-/m0/s1
InChIKeyMGHWBSJKROXPJM-GAGFWEIESA-N
XLogP4.39
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[3-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]phenoxy]acetate
CID 18784162
2-[4-[3-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid
CID 18784154
3-[6-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]prop-2-enoic acid;oxalic acid
CID 67685474
(1R)-2-[[(2S)-7-amino-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-1-(3-chlorophenyl)ethanol
CID 57124190
2-[4-[3-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclopentyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 18784189
(1R)-2-[(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-(3-chlorophenyl)ethanol;dihydrochloride
CID 67685662
1-(3-chlorophenyl)-2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanol
CID 67832460
3-[[(6S)-6-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]pentan-2-one;oxalic acid
CID 18658913
(1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol
CID 94591374
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 51941928
1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687
2-[[7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 69135433

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]phenol?
The IUPAC name of 2-[3-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]phenol (CID 54070827) is 2-[3-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]phenol.
What is the SMILES notation for 2-[3-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]phenol?
The canonical SMILES for 2-[3-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]phenol is Oc1ccccc1C1CCCC(NC[C@H](O)c2cccc(Cl)c2)C1.
What is the InChIKey of 2-[3-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]phenol?
The InChIKey is MGHWBSJKROXPJM-GAGFWEIESA-N. The full InChI is InChI=1S/C20H24ClNO2/c21-16-7-3-6-15(11-16)20(24)13-22-17-8-4-5-14(12-17)18-9-1-2-10-19(18)23/h1-3,6-7,9-11,14,17,20,22-24H,4-5,8,12-13H2/t14?,17?,20-/m0/s1.
What are the key properties of 2-[3-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]phenol?
2-[3-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]phenol has a molecular weight of 345.87 g/mol, XLogP of 4.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]phenol is sourced from PubChem (CID 54070827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).