4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol

C13H17Cl2NO — CID 24730055

IUPAC4-(aminomethyl)-4-(3,4-dichlorophenyl)cyclohexan-1-ol
SMILESC1CC(CCC1O)(CN)C2=CC(=C(C=C2)Cl)Cl
InChIInChI=1S/C13H17Cl2NO/c14-11-2-1-9(7-12(11)15)13(8-16)5-3-10(17)4-6-13/h1-2,7,10,17H,3-6,8,16H2
InChIKeyAPRZPAJFSXWXIH-UHFFFAOYSA-N
MW274.18 g/mol
LogP2.90
Rot. Bonds2

About 4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol

4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol (PubChem CID 24730055) has the molecular formula C13H17Cl2NO and a molecular weight of 274.18 g/mol. Its IUPAC name is 4-(aminomethyl)-4-(3,4-dichlorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol
PubChem CID24730055
Molecular FormulaC13H17Cl2NO
Molecular Weight274.18 g/mol
Exact Mass273.07
IUPAC Name4-(aminomethyl)-4-(3,4-dichlorophenyl)cyclohexan-1-ol
SMILESC1CC(CCC1O)(CN)C2=CC(=C(C=C2)Cl)Cl
InChIInChI=1S/C13H17Cl2NO/c14-11-2-1-9(7-12(11)15)13(8-16)5-3-10(17)4-6-13/h1-2,7,10,17H,3-6,8,16H2
InChIKeyAPRZPAJFSXWXIH-UHFFFAOYSA-N
XLogP2.90
TPSA46.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity254

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol
CID 29938807
3-(3,4-Dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol
CID 58954830
4-(3,4-Dichlorophenyl)-4-((dimethylamino)methyl)-1-methylcyclohexanol
CID 58954867
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-[(3S)-3-(3,4-dichlorophenyl)azepan-3-yl]ethanol
CID 71718185
2-[(3R)-3-(3,4-dichlorophenyl)azepan-3-yl]ethanol
CID 71719830
[1-(3-Chlorophenyl)-4-methoxycyclohexyl]methanamine
CID 71184607
4-(3,4-Dichlorophenyl)-4-[(dimethylamino)methyl]cyclohexan-1-ol
CID 45026961
3-Aminomethyl-3-(3,4-dichloro-phenyl)-1-methyl-cyclohexanol
CID 58954803
3-(Aminomethyl)-3-(3,4-dichlorophenyl)cyclopentanol
CID 58954822

Frequently Asked Questions

What is the IUPAC name of 4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol?
The IUPAC name of 4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol (CID 24730055) is 4-(aminomethyl)-4-(3,4-dichlorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol?
The canonical SMILES for 4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol is C1CC(CCC1O)(CN)C2=CC(=C(C=C2)Cl)Cl.
What is the InChIKey of 4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol?
The InChIKey is APRZPAJFSXWXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-11-2-1-9(7-12(11)15)13(8-16)5-3-10(17)4-6-13/h1-2,7,10,17H,3-6,8,16H2.
What are the key properties of 4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol?
4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol has a molecular weight of 274.18 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol is sourced from PubChem (CID 24730055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).