N-[[3-chloro-6-(2-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine

C16H25ClN2O — CID 62290127

IUPACN-[[3-chloro-6-(2-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(OC2CCCCC2C)ccc1Cl
InChIInChI=1S/C16H25ClN2O/c1-11(2)18-10-14-13(17)8-9-16(19-14)20-15-7-5-4-6-12(15)3/h8-9,11-12,15,18H,4-7,10H2,1-3H3
InChIKeyHXEVGRJAXAYEQT-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.19
Rot. Bonds5

About N-[[3-chloro-6-(2-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine

N-[[3-chloro-6-(2-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine (PubChem CID 62290127) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-[[3-chloro-6-(2-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-(2-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine
PubChem CID62290127
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-[[3-chloro-6-(2-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(OC2CCCCC2C)ccc1Cl
InChIInChI=1S/C16H25ClN2O/c1-11(2)18-10-14-13(17)8-9-16(19-14)20-15-7-5-4-6-12(15)3/h8-9,11-12,15,18H,4-7,10H2,1-3H3
InChIKeyHXEVGRJAXAYEQT-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(2-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-chloro-6-(2-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine (CID 62290127) is N-[[3-chloro-6-(2-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-chloro-6-(2-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-chloro-6-(2-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1nc(OC2CCCCC2C)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(2-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is HXEVGRJAXAYEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-11(2)18-10-14-13(17)8-9-16(19-14)20-15-7-5-4-6-12(15)3/h8-9,11-12,15,18H,4-7,10H2,1-3H3.
What are the key properties of N-[[3-chloro-6-(2-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine?
N-[[3-chloro-6-(2-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 296.84 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(2-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62290127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).