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

C17H19BrN2O — CID 62296590

IUPACN-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCc1ccc(Oc2ncc(Br)cc2CNC2CC2)cc1
InChIInChI=1S/C17H19BrN2O/c1-2-12-3-7-16(8-4-12)21-17-13(9-14(18)11-20-17)10-19-15-5-6-15/h3-4,7-9,11,15,19H,2,5-6,10H2,1H3
InChIKeyLZPSGVOHHOJSBP-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.45
Rot. Bonds6

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

N-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62296590) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62296590
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCc1ccc(Oc2ncc(Br)cc2CNC2CC2)cc1
InChIInChI=1S/C17H19BrN2O/c1-2-12-3-7-16(8-4-12)21-17-13(9-14(18)11-20-17)10-19-15-5-6-15/h3-4,7-9,11,15,19H,2,5-6,10H2,1H3
InChIKeyLZPSGVOHHOJSBP-UHFFFAOYSA-N
XLogP4.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62323752
N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62296410
N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285712
N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62292011
N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62323781
N-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine
CID 55058832
N-[[5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]methyl]cyclopropanamine
CID 81341298
N-[[5-bromo-2-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 62298219
N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 62290492
1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62297750
N-[[2-(3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62297749
N-[[5-bromo-2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 65125438

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine (CID 62296590) is N-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine is CCc1ccc(Oc2ncc(Br)cc2CNC2CC2)cc1.
What is the InChIKey of N-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is LZPSGVOHHOJSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-2-12-3-7-16(8-4-12)21-17-13(9-14(18)11-20-17)10-19-15-5-6-15/h3-4,7-9,11,15,19H,2,5-6,10H2,1H3.
What are the key properties of N-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 347.26 g/mol, XLogP of 4.45, 6 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-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62296590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).