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

C16H17BrN2O2 — CID 105075967

IUPACN-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESCOc1ccc(Oc2cnccc2CNC2CC2)c(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-20-13-4-5-15(14(17)8-13)21-16-10-18-7-6-11(16)9-19-12-2-3-12/h4-8,10,12,19H,2-3,9H2,1H3
InChIKeyVPGPJCIUWSGKAZ-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.90
Rot. Bonds6

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

N-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105075967) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105075967
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESCOc1ccc(Oc2cnccc2CNC2CC2)c(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-20-13-4-5-15(14(17)8-13)21-16-10-18-7-6-11(16)9-19-12-2-3-12/h4-8,10,12,19H,2-3,9H2,1H3
InChIKeyVPGPJCIUWSGKAZ-UHFFFAOYSA-N
XLogP3.90
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine
CID 113443511
N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81250448
N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075410
N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075531
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
N-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075129
N-[[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075896
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075460
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075090
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine (CID 105075967) is N-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine is COc1ccc(Oc2cnccc2CNC2CC2)c(Br)c1.
What is the InChIKey of N-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is VPGPJCIUWSGKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-20-13-4-5-15(14(17)8-13)21-16-10-18-7-6-11(16)9-19-12-2-3-12/h4-8,10,12,19H,2-3,9H2,1H3.
What are the key properties of N-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine?
N-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 349.23 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105075967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).