1-(6-propoxy-3-pyridinyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine

C19H22N2O2 — CID 119125622

IUPAC1-(6-propoxy-3-pyridinyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
SMILESC#CCOc1ccccc1CNCc1ccc(OCCC)nc1
InChIInChI=1S/C19H22N2O2/c1-3-11-22-18-8-6-5-7-17(18)15-20-13-16-9-10-19(21-14-16)23-12-4-2/h1,5-10,14,20H,4,11-13,15H2,2H3
InChIKeyZWPFAVIDLRUPHE-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.17
Rot. Bonds9

About 1-(6-propoxy-3-pyridinyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine

1-(6-propoxy-3-pyridinyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine (PubChem CID 119125622) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(6-propoxy-3-pyridinyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-propoxy-3-pyridinyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
PubChem CID119125622
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-(6-propoxy-3-pyridinyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
SMILESC#CCOc1ccccc1CNCc1ccc(OCCC)nc1
InChIInChI=1S/C19H22N2O2/c1-3-11-22-18-8-6-5-7-17(18)15-20-13-16-9-10-19(21-14-16)23-12-4-2/h1,5-10,14,20H,4,11-13,15H2,2H3
InChIKeyZWPFAVIDLRUPHE-UHFFFAOYSA-N
XLogP3.17
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]phenol
CID 115603324
1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 28664190
2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine
CID 115616903
N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 39369723
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
CID 60960448
1-(3-chloro-4-fluorophenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 62539411
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111838398
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 32556155
N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 62390689
N-[(2-but-3-ynoxyphenyl)methyl]ethanamine
CID 60881032
N-(1,2-oxazol-5-ylmethyl)-1-(2-prop-2-ynoxyphenyl)methanamine
CID 106415025
N-(1H-imidazol-2-ylmethyl)-1-(6-propoxy-3-pyridinyl)methanamine
CID 119126182

Frequently Asked Questions

What is the IUPAC name of 1-(6-propoxy-3-pyridinyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(6-propoxy-3-pyridinyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine (CID 119125622) is 1-(6-propoxy-3-pyridinyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(6-propoxy-3-pyridinyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(6-propoxy-3-pyridinyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine is C#CCOc1ccccc1CNCc1ccc(OCCC)nc1.
What is the InChIKey of 1-(6-propoxy-3-pyridinyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine?
The InChIKey is ZWPFAVIDLRUPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-11-22-18-8-6-5-7-17(18)15-20-13-16-9-10-19(21-14-16)23-12-4-2/h1,5-10,14,20H,4,11-13,15H2,2H3.
What are the key properties of 1-(6-propoxy-3-pyridinyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine?
1-(6-propoxy-3-pyridinyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine has a molecular weight of 310.40 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-propoxy-3-pyridinyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine is sourced from PubChem (CID 119125622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).