2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine

C17H27ClN2O — CID 116767226

IUPAC2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccncc2Cl)NC)CCC(C)CC1
InChIInChI=1S/C17H27ClN2O/c1-4-21-17(8-5-13(2)6-9-17)16(19-3)11-14-7-10-20-12-15(14)18/h7,10,12-13,16,19H,4-6,8-9,11H2,1-3H3
InChIKeyQRPDFBHYNCKVII-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.85
Rot. Bonds6

About 2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine

2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine (PubChem CID 116767226) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine
PubChem CID116767226
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccncc2Cl)NC)CCC(C)CC1
InChIInChI=1S/C17H27ClN2O/c1-4-21-17(8-5-13(2)6-9-17)16(19-3)11-14-7-10-20-12-15(14)18/h7,10,12-13,16,19H,4-6,8-9,11H2,1-3H3
InChIKeyQRPDFBHYNCKVII-UHFFFAOYSA-N
XLogP3.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116766528
2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
CID 116769462
1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 116767103
1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 116767285
1-[2-(3-chloro-4-pyridinyl)-1-(methylamino)ethyl]-N,N-diethylcyclopentan-1-amine
CID 79059412
1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 116767193
1-[2-(3-chloro-4-pyridinyl)-1-(methylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79064182
[2-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
CID 105277526
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 116767135
2-ethoxy-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116767121
(1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 116754837
2-(2-chloro-4-methylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 106868855

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine (CID 116767226) is 2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine is CCOC1(C(Cc2ccncc2Cl)NC)CCC(C)CC1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine?
The InChIKey is QRPDFBHYNCKVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-4-21-17(8-5-13(2)6-9-17)16(19-3)11-14-7-10-20-12-15(14)18/h7,10,12-13,16,19H,4-6,8-9,11H2,1-3H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine?
2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine has a molecular weight of 310.87 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 116767226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).