1-(2,3-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine

C17H25Cl2NO — CID 116768334

IUPAC1-(2,3-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2cccc(Cl)c2Cl)CCCC(C)C1
InChIInChI=1S/C17H25Cl2NO/c1-4-21-17(10-6-7-12(2)11-17)16(20-3)13-8-5-9-14(18)15(13)19/h5,8-9,12,16,20H,4,6-7,10-11H2,1-3H3
InChIKeyXULMJMLGFDVEAP-UHFFFAOYSA-N
MW330.30 g/mol
LogP5.24
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine

1-(2,3-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine (PubChem CID 116768334) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
PubChem CID116768334
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC Name1-(2,3-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2cccc(Cl)c2Cl)CCCC(C)C1
InChIInChI=1S/C17H25Cl2NO/c1-4-21-17(10-6-7-12(2)11-17)16(20-3)13-8-5-9-14(18)15(13)19/h5,8-9,12,16,20H,4,6-7,10-11H2,1-3H3
InChIKeyXULMJMLGFDVEAP-UHFFFAOYSA-N
XLogP5.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.30
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768338
1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768316
1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767849
N-[(2,3-dichlorophenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
CID 116762307
1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 106654657
2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755178
2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116779678
1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 116770913
(4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755230
2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 107308282
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-iodophenyl)-N-methylethanamine
CID 116768271
[2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
CID 107312803

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine (CID 116768334) is 1-(2,3-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine is CCOC1(C(NC)c2cccc(Cl)c2Cl)CCCC(C)C1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine?
The InChIKey is XULMJMLGFDVEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO/c1-4-21-17(10-6-7-12(2)11-17)16(20-3)13-8-5-9-14(18)15(13)19/h5,8-9,12,16,20H,4,6-7,10-11H2,1-3H3.
What are the key properties of 1-(2,3-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine?
1-(2,3-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine has a molecular weight of 330.30 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 116768334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).