1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine

C19H24N2O3 — CID 54849396

IUPAC1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCOc1cc(CNCc2cccnc2)ccc1OCC1CCCO1
InChIInChI=1S/C19H24N2O3/c1-22-19-10-15(11-21-13-16-4-2-8-20-12-16)6-7-18(19)24-14-17-5-3-9-23-17/h2,4,6-8,10,12,17,21H,3,5,9,11,13-14H2,1H3
InChIKeyLCRAXAJGELXRTD-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.94
Rot. Bonds8

About 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine

1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 54849396) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine
PubChem CID54849396
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCOc1cc(CNCc2cccnc2)ccc1OCC1CCCO1
InChIInChI=1S/C19H24N2O3/c1-22-19-10-15(11-21-13-16-4-2-8-20-12-16)6-7-18(19)24-14-17-5-3-9-23-17/h2,4,6-8,10,12,17,21H,3,5,9,11,13-14H2,1H3
InChIKeyLCRAXAJGELXRTD-UHFFFAOYSA-N
XLogP2.94
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
CID 54804211
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide
CID 94025634
N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43591754
1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997399
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7458340
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51726174
N-[[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 65158637
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997353
N-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43591760
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54847965
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7579610

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine (CID 54849396) is 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine is COc1cc(CNCc2cccnc2)ccc1OCC1CCCO1.
What is the InChIKey of 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is LCRAXAJGELXRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-22-19-10-15(11-21-13-16-4-2-8-20-12-16)6-7-18(19)24-14-17-5-3-9-23-17/h2,4,6-8,10,12,17,21H,3,5,9,11,13-14H2,1H3.
What are the key properties of 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine?
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 328.41 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 54849396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).