1-[5-chloro-6-(2-methylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine

C14H21ClN2O — CID 62291222

IUPAC1-[5-chloro-6-(2-methylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(OC2CCCCC2C)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10-5-3-4-6-13(10)18-14-12(15)7-11(8-16-2)9-17-14/h7,9-10,13,16H,3-6,8H2,1-2H3
InChIKeyPTFAZMVARVDRIK-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.41
Rot. Bonds4

About 1-[5-chloro-6-(2-methylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine

1-[5-chloro-6-(2-methylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine (PubChem CID 62291222) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[5-chloro-6-(2-methylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-6-(2-methylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine
PubChem CID62291222
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[5-chloro-6-(2-methylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(OC2CCCCC2C)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10-5-3-4-6-13(10)18-14-12(15)7-11(8-16-2)9-17-14/h7,9-10,13,16H,3-6,8H2,1-2H3
InChIKeyPTFAZMVARVDRIK-UHFFFAOYSA-N
XLogP3.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine
CID 106777271
1-[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-N-methylmethanamine
CID 62291646
3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)pyridin-2-amine
CID 62288638
N-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740579
N-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine
CID 62286994
N-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine
CID 83188969
1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62296357
N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 114927655
1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine
CID 62296845
1-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-N-methylmethanamine
CID 62282097
3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine
CID 62279711
5-ethyl-2-[(1S,2R)-2-methylcyclohexyl]oxypyrimidine
CID 162165542

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-(2-methylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-6-(2-methylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine (CID 62291222) is 1-[5-chloro-6-(2-methylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-6-(2-methylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-6-(2-methylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine is CNCc1cnc(OC2CCCCC2C)c(Cl)c1.
What is the InChIKey of 1-[5-chloro-6-(2-methylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine?
The InChIKey is PTFAZMVARVDRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-5-3-4-6-13(10)18-14-12(15)7-11(8-16-2)9-17-14/h7,9-10,13,16H,3-6,8H2,1-2H3.
What are the key properties of 1-[5-chloro-6-(2-methylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine?
1-[5-chloro-6-(2-methylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine has a molecular weight of 268.79 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-6-(2-methylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62291222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).