N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine

C16H23BrN2O — CID 62290492

IUPACN-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
SMILESCC1CCC(Oc2ncc(Br)cc2CNC2CC2)CC1
InChIInChI=1S/C16H23BrN2O/c1-11-2-6-15(7-3-11)20-16-12(8-13(17)10-19-16)9-18-14-4-5-14/h8,10-11,14-15,18H,2-7,9H2,1H3
InChIKeyRPKGBLGQXMUMSQ-UHFFFAOYSA-N
MW339.28 g/mol
LogP4.05
Rot. Bonds5

About N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine

N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62290492) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62290492
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
SMILESCC1CCC(Oc2ncc(Br)cc2CNC2CC2)CC1
InChIInChI=1S/C16H23BrN2O/c1-11-2-6-15(7-3-11)20-16-12(8-13(17)10-19-16)9-18-14-4-5-14/h8,10-11,14-15,18H,2-7,9H2,1H3
InChIKeyRPKGBLGQXMUMSQ-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanol
CID 62001341
N-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine
CID 55058832
N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62292011
N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine
CID 63490204
1-[5-bromo-2-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine
CID 64730620
N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 64739927
1-[5-bromo-2-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine
CID 114342262
N-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62284209
N-[[5-bromo-2-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 62298219
N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285712
N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62323752
N-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62296590

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine (CID 62290492) is N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine is CC1CCC(Oc2ncc(Br)cc2CNC2CC2)CC1.
What is the InChIKey of N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is RPKGBLGQXMUMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-11-2-6-15(7-3-11)20-16-12(8-13(17)10-19-16)9-18-14-4-5-14/h8,10-11,14-15,18H,2-7,9H2,1H3.
What are the key properties of N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 339.28 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62290492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).