N-methyl-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropan-1-amine

C19H24N2O4 — CID 68530219

IUPACN-methyl-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropan-1-amine
SMILESCNC1(COc2cncc(-c3cc(OC)c(OC)c(OC)c3)c2)CC1
InChIInChI=1S/C19H24N2O4/c1-20-19(5-6-19)12-25-15-7-14(10-21-11-15)13-8-16(22-2)18(24-4)17(9-13)23-3/h7-11,20H,5-6,12H2,1-4H3
InChIKeyMONFMQSNXNSNFD-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.91
Rot. Bonds8

About N-methyl-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropan-1-amine

N-methyl-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropan-1-amine (PubChem CID 68530219) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-methyl-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropan-1-amine
PubChem CID68530219
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-methyl-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropan-1-amine
SMILESCNC1(COc2cncc(-c3cc(OC)c(OC)c(OC)c3)c2)CC1
InChIInChI=1S/C19H24N2O4/c1-20-19(5-6-19)12-25-15-7-14(10-21-11-15)13-8-16(22-2)18(24-4)17(9-13)23-3/h7-11,20H,5-6,12H2,1-4H3
InChIKeyMONFMQSNXNSNFD-UHFFFAOYSA-N
XLogP2.91
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropan-1-amine?
The IUPAC name of N-methyl-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropan-1-amine (CID 68530219) is N-methyl-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropan-1-amine.
What is the SMILES notation for N-methyl-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropan-1-amine?
The canonical SMILES for N-methyl-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropan-1-amine is CNC1(COc2cncc(-c3cc(OC)c(OC)c(OC)c3)c2)CC1.
What is the InChIKey of N-methyl-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropan-1-amine?
The InChIKey is MONFMQSNXNSNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-20-19(5-6-19)12-25-15-7-14(10-21-11-15)13-8-16(22-2)18(24-4)17(9-13)23-3/h7-11,20H,5-6,12H2,1-4H3.
What are the key properties of N-methyl-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropan-1-amine?
N-methyl-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropan-1-amine has a molecular weight of 344.41 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropan-1-amine is sourced from PubChem (CID 68530219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).