N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine

C17H20N2O — CID 62296267

IUPACN-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(Oc2cc(CNC3CC3)ccn2)cc1C
InChIInChI=1S/C17H20N2O/c1-12-3-6-16(9-13(12)2)20-17-10-14(7-8-18-17)11-19-15-4-5-15/h3,6-10,15,19H,4-5,11H2,1-2H3
InChIKeyXZYCXXPKURCURR-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.74
Rot. Bonds5

About N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine

N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 62296267) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID62296267
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(Oc2cc(CNC3CC3)ccn2)cc1C
InChIInChI=1S/C17H20N2O/c1-12-3-6-16(9-13(12)2)20-17-10-14(7-8-18-17)11-19-15-4-5-15/h3,6-10,15,19H,4-5,11H2,1-2H3
InChIKeyXZYCXXPKURCURR-UHFFFAOYSA-N
XLogP3.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]methyl]cyclopropanamine
CID 62291856
N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]cyclopropanamine
CID 103175452
1-[2-(3,4-dimethylphenoxy)-4-pyridinyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 75389865
N-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine
CID 55058266
N-[[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 114676730
1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110968842
N-[[2-[1-(dimethylamino)propan-2-yloxy]-4-pyridinyl]methyl]cyclopropanamine
CID 112741471
1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 111894270
N-[[4-methyl-3-(4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 105406496
1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 62323652
N-methyl-1-[2-(3-methylphenoxy)-4-pyridinyl]methanamine
CID 55058261
N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-1H-indazole-3-carboxamide
CID 99519272

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine (CID 62296267) is N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine is Cc1ccc(Oc2cc(CNC3CC3)ccn2)cc1C.
What is the InChIKey of N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is XZYCXXPKURCURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-3-6-16(9-13(12)2)20-17-10-14(7-8-18-17)11-19-15-4-5-15/h3,6-10,15,19H,4-5,11H2,1-2H3.
What are the key properties of N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine?
N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 268.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62296267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).