N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine

C16H17BrN2O — CID 107285151

IUPACN-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(Br)cc1Oc1ccc(CNC2CC2)cn1
InChIInChI=1S/C16H17BrN2O/c1-11-2-4-13(17)8-15(11)20-16-7-3-12(10-19-16)9-18-14-5-6-14/h2-4,7-8,10,14,18H,5-6,9H2,1H3
InChIKeyPZBIFCYWEOIDEV-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.20
Rot. Bonds5

About N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine

N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 107285151) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID107285151
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(Br)cc1Oc1ccc(CNC2CC2)cn1
InChIInChI=1S/C16H17BrN2O/c1-11-2-4-13(17)8-15(11)20-16-7-3-12(10-19-16)9-18-14-5-6-14/h2-4,7-8,10,14,18H,5-6,9H2,1H3
InChIKeyPZBIFCYWEOIDEV-UHFFFAOYSA-N
XLogP4.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 107285101
N-[[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine
CID 107285698
N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 107285112
N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285712
N-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 107285110
N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63216590
6-(5-bromo-2-methylphenoxy)pyridin-3-amine
CID 107283348
N-[[2-(5-fluoro-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 102990027
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 107286141
N-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406447
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290349
N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80639084

Frequently Asked Questions

What is the IUPAC name of N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine (CID 107285151) is N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine is Cc1ccc(Br)cc1Oc1ccc(CNC2CC2)cn1.
What is the InChIKey of N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is PZBIFCYWEOIDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-2-4-13(17)8-15(11)20-16-7-3-12(10-19-16)9-18-14-5-6-14/h2-4,7-8,10,14,18H,5-6,9H2,1H3.
What are the key properties of N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 333.23 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 107285151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).