1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine

C17H22N2O2 — CID 29225975

IUPAC1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
SMILESCCCOc1ccc(CNCc2ccccn2)cc1OC
InChIInChI=1S/C17H22N2O2/c1-3-10-21-16-8-7-14(11-17(16)20-2)12-18-13-15-6-4-5-9-19-15/h4-9,11,18H,3,10,12-13H2,1-2H3
InChIKeyCEKXXHXVCVLBCD-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.17
Rot. Bonds8

About 1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine

1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 29225975) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
PubChem CID29225975
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
SMILESCCCOc1ccc(CNCc2ccccn2)cc1OC
InChIInChI=1S/C17H22N2O2/c1-3-10-21-16-8-7-14(11-17(16)20-2)12-18-13-15-6-4-5-9-19-15/h4-9,11,18H,3,10,12-13H2,1-2H3
InChIKeyCEKXXHXVCVLBCD-UHFFFAOYSA-N
XLogP3.17
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 4720336
1-(3-bromo-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 29223796
N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29225928
1-ethyl-2-[(3-methoxy-4-propoxyphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967573
N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine
CID 29225923
1-(3-ethoxy-4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 6459415
2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 154752265
1-(3-methoxy-4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 84754657
1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 86776395
1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 110932531
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxy-4-propoxyphenyl)methanamine
CID 86808625

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine (CID 29225975) is 1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine is CCCOc1ccc(CNCc2ccccn2)cc1OC.
What is the InChIKey of 1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is CEKXXHXVCVLBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-10-21-16-8-7-14(11-17(16)20-2)12-18-13-15-6-4-5-9-19-15/h4-9,11,18H,3,10,12-13H2,1-2H3.
What are the key properties of 1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine?
1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 286.38 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 29225975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).