[4-(2-phenylmethoxyethoxy)-3-pyridinyl]methanamine

C15H18N2O2 — CID 132587694

IUPAC[4-(2-phenylmethoxyethoxy)-3-pyridinyl]methanamine
SMILESNCc1cnccc1OCCOCc1ccccc1
InChIInChI=1S/C15H18N2O2/c16-10-14-11-17-7-6-15(14)19-9-8-18-12-13-4-2-1-3-5-13/h1-7,11H,8-10,12,16H2
InChIKeyUVYRQIGMENLQDG-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.14
Rot. Bonds7

About [4-(2-phenylmethoxyethoxy)-3-pyridinyl]methanamine

[4-(2-phenylmethoxyethoxy)-3-pyridinyl]methanamine (PubChem CID 132587694) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is [4-(2-phenylmethoxyethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(2-phenylmethoxyethoxy)-3-pyridinyl]methanamine
PubChem CID132587694
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name[4-(2-phenylmethoxyethoxy)-3-pyridinyl]methanamine
SMILESNCc1cnccc1OCCOCc1ccccc1
InChIInChI=1S/C15H18N2O2/c16-10-14-11-17-7-6-15(14)19-9-8-18-12-13-4-2-1-3-5-13/h1-7,11H,8-10,12,16H2
InChIKeyUVYRQIGMENLQDG-UHFFFAOYSA-N
XLogP2.14
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine
CID 112589639
[4-(3-methylbutoxy)-3-pyridinyl]methanamine
CID 81255354
2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 89308088
[4-(2-cyclobutylethoxy)-3-pyridinyl]methanamine
CID 106205679
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574
9,10-bis(2-phenylmethoxyethoxy)anthracene
CID 139845395
[3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine
CID 103176702
4-N-(2-phenylmethoxyethyl)pyridine-3,4-diamine
CID 70319310
2-[[3-(aminomethyl)-4-pyridinyl]methoxy]phenol
CID 105487920
[2-(pyrazin-2-ylmethoxy)phenyl]methanamine
CID 82037246
ethane;2-phenylmethoxyethanamine
CID 142016503
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylmethoxyethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [4-(2-phenylmethoxyethoxy)-3-pyridinyl]methanamine (CID 132587694) is [4-(2-phenylmethoxyethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(2-phenylmethoxyethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [4-(2-phenylmethoxyethoxy)-3-pyridinyl]methanamine is NCc1cnccc1OCCOCc1ccccc1.
What is the InChIKey of [4-(2-phenylmethoxyethoxy)-3-pyridinyl]methanamine?
The InChIKey is UVYRQIGMENLQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-10-14-11-17-7-6-15(14)19-9-8-18-12-13-4-2-1-3-5-13/h1-7,11H,8-10,12,16H2.
What are the key properties of [4-(2-phenylmethoxyethoxy)-3-pyridinyl]methanamine?
[4-(2-phenylmethoxyethoxy)-3-pyridinyl]methanamine has a molecular weight of 258.32 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylmethoxyethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 132587694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).