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

C15H21Cl2NO — CID 58954967

IUPAC[2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexyl]methanol
SMILESCNCC1(c2ccc(Cl)c(Cl)c2)CCCCC1CO
InChIInChI=1S/C15H21Cl2NO/c1-18-10-15(7-3-2-4-12(15)9-19)11-5-6-13(16)14(17)8-11/h5-6,8,12,18-19H,2-4,7,9-10H2,1H3
InChIKeyZMQCYFBOOMIJKF-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.63
Rot. Bonds4

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

[2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexyl]methanol (PubChem CID 58954967) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexyl]methanol
PubChem CID58954967
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name[2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexyl]methanol
SMILESCNCC1(c2ccc(Cl)c(Cl)c2)CCCCC1CO
InChIInChI=1S/C15H21Cl2NO/c1-18-10-15(7-3-2-4-12(15)9-19)11-5-6-13(16)14(17)8-11/h5-6,8,12,18-19H,2-4,7,9-10H2,1H3
InChIKeyZMQCYFBOOMIJKF-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Threo-3,4-dichlororitalinol hydrochloride
CID 16719669
5-(3,4-Dichlorophenyl)-9-oxa-2-azaspiro[5.5]undecane
CID 145970103
[(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
1-(1-(3,4-Dichlorophenyl)cyclohexyl)-n-methylmethanamine
CID 51346818
3-(3,4-Dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol
CID 58954830
4-(Aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol
CID 58954945
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

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexyl]methanol?
The IUPAC name of [2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexyl]methanol (CID 58954967) is [2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexyl]methanol.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexyl]methanol?
The canonical SMILES for [2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexyl]methanol is CNCC1(c2ccc(Cl)c(Cl)c2)CCCCC1CO.
What is the InChIKey of [2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexyl]methanol?
The InChIKey is ZMQCYFBOOMIJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-18-10-15(7-3-2-4-12(15)9-19)11-5-6-13(16)14(17)8-11/h5-6,8,12,18-19H,2-4,7,9-10H2,1H3.
What are the key properties of [2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexyl]methanol?
[2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexyl]methanol has a molecular weight of 302.25 g/mol, XLogP of 3.63, 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)cyclohexyl]methanol is sourced from PubChem (CID 58954967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).