4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol

C14H19Cl2NO — CID 58954945

IUPAC4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(CN)(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2NO/c1-13(18)4-6-14(9-17,7-5-13)10-2-3-11(15)12(16)8-10/h2-3,8,18H,4-7,9,17H2,1H3
InChIKeyAGRAHYYFJIILCF-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.51
Rot. Bonds2

About 4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol

4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol (PubChem CID 58954945) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol
PubChem CID58954945
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(CN)(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2NO/c1-13(18)4-6-14(9-17,7-5-13)10-2-3-11(15)12(16)8-10/h2-3,8,18H,4-7,9,17H2,1H3
InChIKeyAGRAHYYFJIILCF-UHFFFAOYSA-N
XLogP3.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol?
The IUPAC name of 4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol (CID 58954945) is 4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol is CC1(O)CCC(CN)(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol?
The InChIKey is AGRAHYYFJIILCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-13(18)4-6-14(9-17,7-5-13)10-2-3-11(15)12(16)8-10/h2-3,8,18H,4-7,9,17H2,1H3.
What are the key properties of 4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol?
4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol has a molecular weight of 288.22 g/mol, XLogP of 3.51, 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)-1-methylcyclohexan-1-ol is sourced from PubChem (CID 58954945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).