1-[5-chloro-2-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]-N-methylmethanamine

C15H23ClN2O — CID 114928773

IUPAC1-[5-chloro-2-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(OC2CCC(C)C(C)C2)ncc1Cl
InChIInChI=1S/C15H23ClN2O/c1-10-4-5-13(6-11(10)2)19-15-7-12(8-17-3)14(16)9-18-15/h7,9-11,13,17H,4-6,8H2,1-3H3
InChIKeyJCBVAZVGYVQBJB-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.66
Rot. Bonds4

About 1-[5-chloro-2-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]-N-methylmethanamine

1-[5-chloro-2-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]-N-methylmethanamine (PubChem CID 114928773) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[5-chloro-2-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]-N-methylmethanamine
PubChem CID114928773
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[5-chloro-2-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(OC2CCC(C)C(C)C2)ncc1Cl
InChIInChI=1S/C15H23ClN2O/c1-10-4-5-13(6-11(10)2)19-15-7-12(8-17-3)14(16)9-18-15/h7,9-11,13,17H,4-6,8H2,1-3H3
InChIKeyJCBVAZVGYVQBJB-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylmethanamine
CID 106205334
N-[[5-chloro-2-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methyl]ethanamine
CID 114929062
5-chloro-4-(3,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-2-amine
CID 80876001
N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 114927655
1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 64738951
1-[5-chloro-2-(3,5-dimethoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114927908
6-(3,4-dimethylcyclohexyl)oxy-N-ethylpyrimidin-4-amine
CID 80876764
N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927656
1-[5-chloro-2-[(2-chlorophenyl)methoxy]-4-pyridinyl]-N-methylmethanamine
CID 114927670
1-[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928337
1-[3-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 64739555
1-(5-chloro-2-pyridin-3-yloxy-4-pyridinyl)-N-methylmethanamine
CID 114927918

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]-N-methylmethanamine (CID 114928773) is 1-[5-chloro-2-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]-N-methylmethanamine is CNCc1cc(OC2CCC(C)C(C)C2)ncc1Cl.
What is the InChIKey of 1-[5-chloro-2-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]-N-methylmethanamine?
The InChIKey is JCBVAZVGYVQBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-10-4-5-13(6-11(10)2)19-15-7-12(8-17-3)14(16)9-18-15/h7,9-11,13,17H,4-6,8H2,1-3H3.
What are the key properties of 1-[5-chloro-2-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]-N-methylmethanamine?
1-[5-chloro-2-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]-N-methylmethanamine has a molecular weight of 282.81 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 114928773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).