N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine

C17H20N2O2 — CID 43472080

IUPACN-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine
SMILESCOc1cccc(CNC2CC2)c1OCc1ccccn1
InChIInChI=1S/C17H20N2O2/c1-20-16-7-4-5-13(11-19-14-8-9-14)17(16)21-12-15-6-2-3-10-18-15/h2-7,10,14,19H,8-9,11-12H2,1H3
InChIKeyCRVNKSSSNDFYKQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.92
Rot. Bonds7

About N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine

N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 43472080) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine
PubChem CID43472080
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine
SMILESCOc1cccc(CNC2CC2)c1OCc1ccccn1
InChIInChI=1S/C17H20N2O2/c1-20-16-7-4-5-13(11-19-14-8-9-14)17(16)21-12-15-6-2-3-10-18-15/h2-7,10,14,19H,8-9,11-12H2,1H3
InChIKeyCRVNKSSSNDFYKQ-UHFFFAOYSA-N
XLogP2.92
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 47052476
N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365555
N-[[3-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 60889757
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methanol
CID 43471608
N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 80698601
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294905
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 4722443
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[[2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63992542
N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 17054592

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine (CID 43472080) is N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine is COc1cccc(CNC2CC2)c1OCc1ccccn1.
What is the InChIKey of N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is CRVNKSSSNDFYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-20-16-7-4-5-13(11-19-14-8-9-14)17(16)21-12-15-6-2-3-10-18-15/h2-7,10,14,19H,8-9,11-12H2,1H3.
What are the key properties of N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine?
N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 284.36 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43472080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).