1-(3,5-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine

C16H23Cl2N — CID 104989009

IUPAC1-(3,5-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Cl)c1)C1CC(C)CC(C)C1
InChIInChI=1S/C16H23Cl2N/c1-10-4-11(2)6-12(5-10)16(19-3)13-7-14(17)9-15(18)8-13/h7-12,16,19H,4-6H2,1-3H3
InChIKeyQRHNLQOTKUPOLY-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.33
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine

1-(3,5-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine (PubChem CID 104989009) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
PubChem CID104989009
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC Name1-(3,5-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Cl)c1)C1CC(C)CC(C)C1
InChIInChI=1S/C16H23Cl2N/c1-10-4-11(2)6-12(5-10)16(19-3)13-7-14(17)9-15(18)8-13/h7-12,16,19H,4-6H2,1-3H3
InChIKeyQRHNLQOTKUPOLY-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104991020
1-(3,5-dimethylcyclohexyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 104988711
1-(2,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 64731316
1-(2-chloro-4-methylphenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 106857795
N-[(3-chlorophenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 64730507
1-(5-bromo-2-fluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 114894811
1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 55185676
1-(3,5-dimethylcyclohexyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 64729922
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789923
[(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
CID 105312280
1-(3,5-dimethylcyclohexyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115533801

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine (CID 104989009) is 1-(3,5-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine is CNC(c1cc(Cl)cc(Cl)c1)C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine?
The InChIKey is QRHNLQOTKUPOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-10-4-11(2)6-12(5-10)16(19-3)13-7-14(17)9-15(18)8-13/h7-12,16,19H,4-6H2,1-3H3.
What are the key properties of 1-(3,5-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine?
1-(3,5-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine has a molecular weight of 300.27 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 104989009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).