N-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-(oxolan-3-yl)methanamine

C19H24N2O2 — CID 75471009

IUPACN-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCc1cc(CN(C)CC2CCOC2)ccc1Oc1cccnc1
InChIInChI=1S/C19H24N2O2/c1-15-10-16(12-21(2)13-17-7-9-22-14-17)5-6-19(15)23-18-4-3-8-20-11-18/h3-6,8,10-11,17H,7,9,12-14H2,1-2H3
InChIKeyACOMAIMLZGBBCJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.65
Rot. Bonds6

About N-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-(oxolan-3-yl)methanamine

N-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-(oxolan-3-yl)methanamine (PubChem CID 75471009) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
PubChem CID75471009
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCc1cc(CN(C)CC2CCOC2)ccc1Oc1cccnc1
InChIInChI=1S/C19H24N2O2/c1-15-10-16(12-21(2)13-17-7-9-22-14-17)5-6-19(15)23-18-4-3-8-20-11-18/h3-6,8,10-11,17H,7,9,12-14H2,1-2H3
InChIKeyACOMAIMLZGBBCJ-UHFFFAOYSA-N
XLogP3.65
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-(oxolan-3-yl)methanamine (CID 75471009) is N-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-(oxolan-3-yl)methanamine is Cc1cc(CN(C)CC2CCOC2)ccc1Oc1cccnc1.
What is the InChIKey of N-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-(oxolan-3-yl)methanamine?
The InChIKey is ACOMAIMLZGBBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-10-16(12-21(2)13-17-7-9-22-14-17)5-6-19(15)23-18-4-3-8-20-11-18/h3-6,8,10-11,17H,7,9,12-14H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-(oxolan-3-yl)methanamine?
N-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-(oxolan-3-yl)methanamine has a molecular weight of 312.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 75471009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).