[(1R,2S)-2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol

C14H19Cl2NO — CID 58566857

IUPAC[(1R,2S)-2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol
SMILESCNC[C@@]1(c2ccc(Cl)c(Cl)c2)CCC[C@H]1CO
InChIInChI=1S/C14H19Cl2NO/c1-17-9-14(6-2-3-11(14)8-18)10-4-5-12(15)13(16)7-10/h4-5,7,11,17-18H,2-3,6,8-9H2,1H3/t11-,14+/m0/s1
InChIKeyKMFJTKOQURPEIV-SMDDNHRTSA-N
MW288.22 g/mol
LogP3.24
Rot. Bonds4

About [(1R,2S)-2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol

[(1R,2S)-2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol (PubChem CID 58566857) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is [(1R,2S)-2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol
PubChem CID58566857
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name[(1R,2S)-2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol
SMILESCNC[C@@]1(c2ccc(Cl)c(Cl)c2)CCC[C@H]1CO
InChIInChI=1S/C14H19Cl2NO/c1-17-9-14(6-2-3-11(14)8-18)10-4-5-12(15)13(16)7-10/h4-5,7,11,17-18H,2-3,6,8-9H2,1H3/t11-,14+/m0/s1
InChIKeyKMFJTKOQURPEIV-SMDDNHRTSA-N
XLogP3.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol?
The IUPAC name of [(1R,2S)-2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol (CID 58566857) is [(1R,2S)-2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol.
What is the SMILES notation for [(1R,2S)-2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol?
The canonical SMILES for [(1R,2S)-2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol is CNC[C@@]1(c2ccc(Cl)c(Cl)c2)CCC[C@H]1CO.
What is the InChIKey of [(1R,2S)-2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol?
The InChIKey is KMFJTKOQURPEIV-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-17-9-14(6-2-3-11(14)8-18)10-4-5-12(15)13(16)7-10/h4-5,7,11,17-18H,2-3,6,8-9H2,1H3/t11-,14+/m0/s1.
What are the key properties of [(1R,2S)-2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol?
[(1R,2S)-2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol has a molecular weight of 288.22 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol is sourced from PubChem (CID 58566857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).