2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine

C16H23Cl2NO — CID 107309128

IUPAC2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
SMILESCOC1(C(N)Cc2cccc(Cl)c2Cl)CCC(C)CC1
InChIInChI=1S/C16H23Cl2NO/c1-11-6-8-16(20-2,9-7-11)14(19)10-12-4-3-5-13(17)15(12)18/h3-5,11,14H,6-10,19H2,1-2H3
InChIKeyHFUBUYJFSMUSOJ-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.46
Rot. Bonds4

About 2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine

2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine (PubChem CID 107309128) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
PubChem CID107309128
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
SMILESCOC1(C(N)Cc2cccc(Cl)c2Cl)CCC(C)CC1
InChIInChI=1S/C16H23Cl2NO/c1-11-6-8-16(20-2,9-7-11)14(19)10-12-4-3-5-13(17)15(12)18/h3-5,11,14H,6-10,19H2,1-2H3
InChIKeyHFUBUYJFSMUSOJ-UHFFFAOYSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine
CID 116769828
2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 107308282
2-(2,3-dichlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 107309137
[2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
CID 107312803
[2-(2-chloro-3-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277013
1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
CID 116766322
2-(2-chloro-3-fluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764439
2-(2,3-dichlorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 107308285
[2-(2,3-dichlorophenyl)-1-(1-methoxycyclopentyl)ethyl]hydrazine
CID 107312778
2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766631
1-cyclopropyl-2-(2,3-dichlorophenyl)ethanamine
CID 107308371
1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine
CID 116766935

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine (CID 107309128) is 2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine is COC1(C(N)Cc2cccc(Cl)c2Cl)CCC(C)CC1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine?
The InChIKey is HFUBUYJFSMUSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-11-6-8-16(20-2,9-7-11)14(19)10-12-4-3-5-13(17)15(12)18/h3-5,11,14H,6-10,19H2,1-2H3.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine?
2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine has a molecular weight of 316.27 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine is sourced from PubChem (CID 107309128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).