N-[[4-(4-bromophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine

C16H17BrN2O — CID 81250499

IUPACN-[[4-(4-bromophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(Oc2ccc(Br)cc2)c(CNC2CC2)cn1
InChIInChI=1S/C16H17BrN2O/c1-11-8-16(20-15-6-2-13(17)3-7-15)12(9-18-11)10-19-14-4-5-14/h2-3,6-9,14,19H,4-5,10H2,1H3
InChIKeyFTFJOLSBSVDBAI-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.20
Rot. Bonds5

About N-[[4-(4-bromophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine

N-[[4-(4-bromophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 81250499) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-[[4-(4-bromophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(4-bromophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
PubChem CID81250499
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-[[4-(4-bromophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(Oc2ccc(Br)cc2)c(CNC2CC2)cn1
InChIInChI=1S/C16H17BrN2O/c1-11-8-16(20-15-6-2-13(17)3-7-15)12(9-18-11)10-19-14-4-5-14/h2-3,6-9,14,19H,4-5,10H2,1H3
InChIKeyFTFJOLSBSVDBAI-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

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Related Compounds

N-[[4-(4-chlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81251064
N-[[4-(2,5-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254386
N-[[4-(2,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254061
N-[[4-(2,5-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254374
N-[[6-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 116803040
N-[[6-methyl-4-(2-propoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81250179
N-[[6-methyl-4-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253556
N-[[4-bromo-2-(4-chloro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282343
N-[[4-(4-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63552049
N-[[6-methyl-4-(2-methylpentoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 103285460
N-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 107285110
N-[[6-methyl-4-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253535

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-bromophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(4-bromophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine (CID 81250499) is N-[[4-(4-bromophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(4-bromophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(4-bromophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine is Cc1cc(Oc2ccc(Br)cc2)c(CNC2CC2)cn1.
What is the InChIKey of N-[[4-(4-bromophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is FTFJOLSBSVDBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-8-16(20-15-6-2-13(17)3-7-15)12(9-18-11)10-19-14-4-5-14/h2-3,6-9,14,19H,4-5,10H2,1H3.
What are the key properties of N-[[4-(4-bromophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
N-[[4-(4-bromophenoxy)-6-methyl-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-[[4-(4-bromophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 81250499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).