2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine

C17H27ClN2O — CID 116769462

IUPAC2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
SMILESCNC(Cc1ccncc1Cl)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C17H27ClN2O/c1-16(2)6-8-17(21-4,9-7-16)15(19-3)11-13-5-10-20-12-14(13)18/h5,10,12,15,19H,6-9,11H2,1-4H3
InChIKeyMIIHJVKXYXEXJM-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.85
Rot. Bonds5

About 2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine

2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine (PubChem CID 116769462) 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-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
PubChem CID116769462
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
SMILESCNC(Cc1ccncc1Cl)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C17H27ClN2O/c1-16(2)6-8-17(21-4,9-7-16)15(19-3)11-13-5-10-20-12-14(13)18/h5,10,12,15,19H,6-9,11H2,1-4H3
InChIKeyMIIHJVKXYXEXJM-UHFFFAOYSA-N
XLogP3.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine
CID 116769287
2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116767226
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
3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 116763051
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-2-ylethanamine
CID 116769249
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine
CID 116769301
1-[2-(3-chloro-4-pyridinyl)-1-(methylamino)ethyl]-N,N-diethylcyclopentan-1-amine
CID 79059412
2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770042
2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750292
[2-(3-chloro-4-pyridinyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231726

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine (CID 116769462) is 2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine is CNC(Cc1ccncc1Cl)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine?
The InChIKey is MIIHJVKXYXEXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-16(2)6-8-17(21-4,9-7-16)15(19-3)11-13-5-10-20-12-14(13)18/h5,10,12,15,19H,6-9,11H2,1-4H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine?
2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine has a molecular weight of 310.87 g/mol, XLogP of 3.85, 5 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-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 116769462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).