N-[(2-methoxyphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine

C19H24N2O2 — CID 16673250

IUPACN-[(2-methoxyphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine
SMILESCOc1ccccc1CN(Cc1cccnc1)CC1CCCO1
InChIInChI=1S/C19H24N2O2/c1-22-19-9-3-2-7-17(19)14-21(15-18-8-5-11-23-18)13-16-6-4-10-20-12-16/h2-4,6-7,9-10,12,18H,5,8,11,13-15H2,1H3
InChIKeyDHOOCONXZPWIQD-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.27
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine

N-[(2-methoxyphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 16673250) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine
PubChem CID16673250
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine
SMILESCOc1ccccc1CN(Cc1cccnc1)CC1CCCO1
InChIInChI=1S/C19H24N2O2/c1-22-19-9-3-2-7-17(19)14-21(15-18-8-5-11-23-18)13-16-6-4-10-20-12-16/h2-4,6-7,9-10,12,18H,5,8,11,13-15H2,1H3
InChIKeyDHOOCONXZPWIQD-UHFFFAOYSA-N
XLogP3.27
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine (CID 16673250) is N-[(2-methoxyphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine is COc1ccccc1CN(Cc1cccnc1)CC1CCCO1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is DHOOCONXZPWIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-22-19-9-3-2-7-17(19)14-21(15-18-8-5-11-23-18)13-16-6-4-10-20-12-16/h2-4,6-7,9-10,12,18H,5,8,11,13-15H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine?
N-[(2-methoxyphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 312.41 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 16673250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).