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

C14H19Cl2NO — CID 58954827

IUPAC[2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol
SMILESCNCC1(c2ccc(Cl)c(Cl)c2)CCCC1CO
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
InChIKeyKMFJTKOQURPEIV-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.24
Rot. Bonds4

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

[2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol (PubChem CID 58954827) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol
PubChem CID58954827
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name[2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol
SMILESCNCC1(c2ccc(Cl)c(Cl)c2)CCCC1CO
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
InChIKeyKMFJTKOQURPEIV-UHFFFAOYSA-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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Related Compounds

Threo-3,4-dichlororitalinol hydrochloride
CID 16719669
[(1S,5S,6R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 24825720
2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol
CID 29938807
[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 45379827
2-[(1R,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]ethanol
CID 45380185
3-(3,4-Dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol
CID 58954830
2-[(3R)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol
CID 68653619
4-(3,4-Dichlorophenyl)-1-methyl-4-(methylaminomethyl)cyclohexan-1-ol
CID 68673707
2-(3,4-Dichlorophenyl)-2-piperidin-4-ylethanol;hydrochloride
CID 71727754
[4-(3,4-Dichlorophenyl)azepan-4-yl]methanol;hydrochloride
CID 122181784
(2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride
CID 16719763
2-[(3S)-3-(3,4-dichlorophenyl)azepan-3-yl]ethanol
CID 71718185

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol?
The IUPAC name of [2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol (CID 58954827) is [2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol?
The canonical SMILES for [2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol is CNCC1(c2ccc(Cl)c(Cl)c2)CCCC1CO.
What is the InChIKey of [2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol?
The InChIKey is KMFJTKOQURPEIV-UHFFFAOYSA-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.
What are the key properties of [2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol?
[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 [2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol is sourced from PubChem (CID 58954827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).