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

C16H25ClN2O — CID 116766528

IUPAC2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine
SMILESCNC(Cc1ccncc1Cl)C1(OC)CCC(C)CC1
InChIInChI=1S/C16H25ClN2O/c1-12-4-7-16(20-3,8-5-12)15(18-2)10-13-6-9-19-11-14(13)17/h6,9,11-12,15,18H,4-5,7-8,10H2,1-3H3
InChIKeyGKMXXFPRTFTRMQ-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.46
Rot. Bonds5

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

2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine (PubChem CID 116766528) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine
PubChem CID116766528
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine
SMILESCNC(Cc1ccncc1Cl)C1(OC)CCC(C)CC1
InChIInChI=1S/C16H25ClN2O/c1-12-4-7-16(20-3,8-5-12)15(18-2)10-13-6-9-19-11-14(13)17/h6,9,11-12,15,18H,4-5,7-8,10H2,1-3H3
InChIKeyGKMXXFPRTFTRMQ-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
CID 116769462
2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116767226
[2-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
CID 105277526
2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766631
1-[2-(3-chloro-4-pyridinyl)-1-(methylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79064182
[2-(2,4-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277164
3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 116763051
4-[2-(1-methoxy-4-methylcyclohexyl)-2-(methylamino)ethyl]pyridin-2-amine
CID 116766566
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine
CID 116769287
1-[2-(3-chloro-4-pyridinyl)-1-(methylamino)ethyl]-N,N-diethylcyclopentan-1-amine
CID 79059412
2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450636
N-[1-(1-methoxy-4-methylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 116766797

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine (CID 116766528) is 2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine is CNC(Cc1ccncc1Cl)C1(OC)CCC(C)CC1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine?
The InChIKey is GKMXXFPRTFTRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-12-4-7-16(20-3,8-5-12)15(18-2)10-13-6-9-19-11-14(13)17/h6,9,11-12,15,18H,4-5,7-8,10H2,1-3H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine?
2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine has a molecular weight of 296.84 g/mol, XLogP of 3.46, 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-methylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 116766528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).