N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine

C18H22N2O3 — CID 46997920

IUPACN-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCCCN(Cc1cccnc1)Cc1cc(OC)c2c(c1)OCO2
InChIInChI=1S/C18H22N2O3/c1-3-7-20(11-14-5-4-6-19-10-14)12-15-8-16(21-2)18-17(9-15)22-13-23-18/h4-6,8-10H,3,7,11-13H2,1-2H3
InChIKeyWFWOGMNABNWJLE-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.23
Rot. Bonds7

About N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine

N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine (PubChem CID 46997920) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine
PubChem CID46997920
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCCCN(Cc1cccnc1)Cc1cc(OC)c2c(c1)OCO2
InChIInChI=1S/C18H22N2O3/c1-3-7-20(11-14-5-4-6-19-10-14)12-15-8-16(21-2)18-17(9-15)22-13-23-18/h4-6,8-10H,3,7,11-13H2,1-2H3
InChIKeyWFWOGMNABNWJLE-UHFFFAOYSA-N
XLogP3.23
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[3-(dimethylamino)propyl]-N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N-dimethylpropane-1,3-diamine
CID 3567719
N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 61348602
N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 46993097
4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol
CID 43817991
N-benzyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43818419
(6S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(2-methylpropyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one
CID 26226731
2-(1,3-benzodioxol-5-yl)-N-[(4-ethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid
CID 44665511
N',N'-diethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethane-1,2-diamine
CID 115574436
3-(1,3-benzodioxol-5-ylmethyl)pyridine
CID 173231937
2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
CID 46997861
N-ethyl-N-[[3-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 84746118
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51497422

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine (CID 46997920) is N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine is CCCN(Cc1cccnc1)Cc1cc(OC)c2c(c1)OCO2.
What is the InChIKey of N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is WFWOGMNABNWJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-7-20(11-14-5-4-6-19-10-14)12-15-8-16(21-2)18-17(9-15)22-13-23-18/h4-6,8-10H,3,7,11-13H2,1-2H3.
What are the key properties of N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine?
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 314.38 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 46997920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).