N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine

C16H23ClN2O — CID 114927655

IUPACN-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine
SMILESCC1CCCCC1Oc1cc(CNC2CC2)c(Cl)cn1
InChIInChI=1S/C16H23ClN2O/c1-11-4-2-3-5-15(11)20-16-8-12(14(17)10-19-16)9-18-13-6-7-13/h8,10-11,13,15,18H,2-7,9H2,1H3
InChIKeyUKOMPBFLSQUOKN-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.94
Rot. Bonds5

About N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine

N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 114927655) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine
PubChem CID114927655
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine
SMILESCC1CCCCC1Oc1cc(CNC2CC2)c(Cl)cn1
InChIInChI=1S/C16H23ClN2O/c1-11-4-2-3-5-15(11)20-16-8-12(14(17)10-19-16)9-18-13-6-7-13/h8,10-11,13,15,18H,2-7,9H2,1H3
InChIKeyUKOMPBFLSQUOKN-UHFFFAOYSA-N
XLogP3.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927656
N-[[5-chloro-2-(3-methylbutan-2-yloxy)-4-pyridinyl]methyl]cyclopropanamine
CID 114928915
N-[[2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 62291755
5-chloro-N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 114925442
5-chloro-N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine
CID 114925957
N-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 114929107
1-[5-chloro-2-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]-N-methylmethanamine
CID 114928773
5-chloro-2-(2-methylcyclohexyl)oxypyridine
CID 66235023
1-[5-chloro-6-(2-methylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine
CID 62291222
N-[[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine
CID 107285698
N-[[5-chloro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 114928565
N-[[5-chloro-2-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 114927604

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine (CID 114927655) is N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine is CC1CCCCC1Oc1cc(CNC2CC2)c(Cl)cn1.
What is the InChIKey of N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is UKOMPBFLSQUOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11-4-2-3-5-15(11)20-16-8-12(14(17)10-19-16)9-18-13-6-7-13/h8,10-11,13,15,18H,2-7,9H2,1H3.
What are the key properties of N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine?
N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 294.83 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 114927655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).