N-[(2-methoxy-4-pyridinyl)methyl]-1-(3-propoxyphenyl)methanamine

C17H22N2O2 — CID 60957658

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-1-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(CNCc2ccnc(OC)c2)c1
InChIInChI=1S/C17H22N2O2/c1-3-9-21-16-6-4-5-14(10-16)12-18-13-15-7-8-19-17(11-15)20-2/h4-8,10-11,18H,3,9,12-13H2,1-2H3
InChIKeyBLCYOGOAIFKTIB-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.17
Rot. Bonds8

About N-[(2-methoxy-4-pyridinyl)methyl]-1-(3-propoxyphenyl)methanamine

N-[(2-methoxy-4-pyridinyl)methyl]-1-(3-propoxyphenyl)methanamine (PubChem CID 60957658) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-1-(3-propoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-1-(3-propoxyphenyl)methanamine
PubChem CID60957658
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-1-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(CNCc2ccnc(OC)c2)c1
InChIInChI=1S/C17H22N2O2/c1-3-9-21-16-6-4-5-14(10-16)12-18-13-15-7-8-19-17(11-15)20-2/h4-8,10-11,18H,3,9,12-13H2,1-2H3
InChIKeyBLCYOGOAIFKTIB-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

2-(3-bromophenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62989177
1-(3-propoxyphenyl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106834067
1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54804115
1-(3-butoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39369735
1-(2-methoxy-4-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 79267784
4-[[(3-propoxyphenyl)methylamino]methyl]benzonitrile
CID 60957812
2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine
CID 61016634
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
N-[(2-methoxyphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60760659
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
methyl 3-[(3-propoxyphenyl)methylamino]propanoate
CID 54901654
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-propoxyphenyl)methanamine
CID 62539082

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-1-(3-propoxyphenyl)methanamine?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-1-(3-propoxyphenyl)methanamine (CID 60957658) is N-[(2-methoxy-4-pyridinyl)methyl]-1-(3-propoxyphenyl)methanamine.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-1-(3-propoxyphenyl)methanamine?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-1-(3-propoxyphenyl)methanamine is CCCOc1cccc(CNCc2ccnc(OC)c2)c1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-1-(3-propoxyphenyl)methanamine?
The InChIKey is BLCYOGOAIFKTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-9-21-16-6-4-5-14(10-16)12-18-13-15-7-8-19-17(11-15)20-2/h4-8,10-11,18H,3,9,12-13H2,1-2H3.
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-1-(3-propoxyphenyl)methanamine?
N-[(2-methoxy-4-pyridinyl)methyl]-1-(3-propoxyphenyl)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 N-[(2-methoxy-4-pyridinyl)methyl]-1-(3-propoxyphenyl)methanamine is sourced from PubChem (CID 60957658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).