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

C15H15BrN2O — CID 81250512

IUPACN-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESBrc1cccc(Oc2ccncc2CNC2CC2)c1
InChIInChI=1S/C15H15BrN2O/c16-12-2-1-3-14(8-12)19-15-6-7-17-9-11(15)10-18-13-4-5-13/h1-3,6-9,13,18H,4-5,10H2
InChIKeyMNHOVNWUEDVORV-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.89
Rot. Bonds5

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

N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 81250512) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID81250512
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESBrc1cccc(Oc2ccncc2CNC2CC2)c1
InChIInChI=1S/C15H15BrN2O/c16-12-2-1-3-14(8-12)19-15-6-7-17-9-11(15)10-18-13-4-5-13/h1-3,6-9,13,18H,4-5,10H2
InChIKeyMNHOVNWUEDVORV-UHFFFAOYSA-N
XLogP3.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253545
N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62323752
N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81250294
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81255002
N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81250448
N-[[4-(3-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63552745
N-[[6-(3-bromophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323390
N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine
CID 81250789
N-[[4-[2-[(E)-prop-1-enyl]phenoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 81254935
N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283337
N-[[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075896
N-[[4-(4-bromophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81250499

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine (CID 81250512) is N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine is Brc1cccc(Oc2ccncc2CNC2CC2)c1.
What is the InChIKey of N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is MNHOVNWUEDVORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-12-2-1-3-14(8-12)19-15-6-7-17-9-11(15)10-18-13-4-5-13/h1-3,6-9,13,18H,4-5,10H2.
What are the key properties of N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 319.20 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 81250512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).