[6-(3-phenylpropoxymethyl)-2-pyridinyl]methanamine

C16H20N2O — CID 106908261

IUPAC[6-(3-phenylpropoxymethyl)-2-pyridinyl]methanamine
SMILESNCc1cccc(COCCCc2ccccc2)n1
InChIInChI=1S/C16H20N2O/c17-12-15-9-4-10-16(18-15)13-19-11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10H,5,8,11-13,17H2
InChIKeyZUUHNUYYLWDMCT-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.69
Rot. Bonds7

About [6-(3-phenylpropoxymethyl)-2-pyridinyl]methanamine

[6-(3-phenylpropoxymethyl)-2-pyridinyl]methanamine (PubChem CID 106908261) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is [6-(3-phenylpropoxymethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(3-phenylpropoxymethyl)-2-pyridinyl]methanamine
PubChem CID106908261
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name[6-(3-phenylpropoxymethyl)-2-pyridinyl]methanamine
SMILESNCc1cccc(COCCCc2ccccc2)n1
InChIInChI=1S/C16H20N2O/c17-12-15-9-4-10-16(18-15)13-19-11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10H,5,8,11-13,17H2
InChIKeyZUUHNUYYLWDMCT-UHFFFAOYSA-N
XLogP2.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[6-[3-(2-methoxyethoxy)propoxymethyl]-2-pyridinyl]methanamine
CID 106908742
5-(3-phenylpropoxymethyl)pyrazin-2-amine
CID 103058940
2,6-bis[2-(4-methylphenyl)ethoxymethyl]pyridine
CID 71605709
2-chloro-6-(3-pyridin-4-ylpropoxymethyl)pyridine
CID 79243952
2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138496429
4-(3-phenylpropoxymethyl)-1,3-thiazole-2-carbohydrazide
CID 63570034
[6-(2,2-difluoroethoxymethyl)-2-pyridinyl]methanamine
CID 106908570
(2R)-1-(3-phenylpropoxy)propan-2-amine
CID 15118942
1-iodo-4-(3-phenylmethoxypropyl)benzene
CID 10937065
butoxymethylbenzene;phenylmethanamine
CID 142079106
2,3-bis(2-phenylethoxymethyl)phenol;2,3-bis(3-phenylpropoxymethyl)phenol
CID 122553241
5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine
CID 79774216

Frequently Asked Questions

What is the IUPAC name of [6-(3-phenylpropoxymethyl)-2-pyridinyl]methanamine?
The IUPAC name of [6-(3-phenylpropoxymethyl)-2-pyridinyl]methanamine (CID 106908261) is [6-(3-phenylpropoxymethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(3-phenylpropoxymethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [6-(3-phenylpropoxymethyl)-2-pyridinyl]methanamine is NCc1cccc(COCCCc2ccccc2)n1.
What is the InChIKey of [6-(3-phenylpropoxymethyl)-2-pyridinyl]methanamine?
The InChIKey is ZUUHNUYYLWDMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-12-15-9-4-10-16(18-15)13-19-11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10H,5,8,11-13,17H2.
What are the key properties of [6-(3-phenylpropoxymethyl)-2-pyridinyl]methanamine?
[6-(3-phenylpropoxymethyl)-2-pyridinyl]methanamine has a molecular weight of 256.35 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-phenylpropoxymethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 106908261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).