2-methoxy-5-[2-(1,3,5-triazin-2-yl)ethyl]aniline

C12H14N4O — CID 82474391

IUPAC2-methoxy-5-[2-(1,3,5-triazin-2-yl)ethyl]aniline
SMILESCOc1ccc(CCc2ncncn2)cc1N
InChIInChI=1S/C12H14N4O/c1-17-11-4-2-9(6-10(11)13)3-5-12-15-7-14-8-16-12/h2,4,6-8H,3,5,13H2,1H3
InChIKeyQKYOOTBCLMBNLH-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.25
Rot. Bonds4

About 2-methoxy-5-[2-(1,3,5-triazin-2-yl)ethyl]aniline

2-methoxy-5-[2-(1,3,5-triazin-2-yl)ethyl]aniline (PubChem CID 82474391) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-methoxy-5-[2-(1,3,5-triazin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[2-(1,3,5-triazin-2-yl)ethyl]aniline
PubChem CID82474391
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-methoxy-5-[2-(1,3,5-triazin-2-yl)ethyl]aniline
SMILESCOc1ccc(CCc2ncncn2)cc1N
InChIInChI=1S/C12H14N4O/c1-17-11-4-2-9(6-10(11)13)3-5-12-15-7-14-8-16-12/h2,4,6-8H,3,5,13H2,1H3
InChIKeyQKYOOTBCLMBNLH-UHFFFAOYSA-N
XLogP1.25
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 82256061
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2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol
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4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol
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2-methoxy-5-[2-(methylamino)propyl]aniline
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N-[2-(3-amino-4-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82257408
5-(diethylaminomethyl)-2-methoxyaniline
CID 29272603
2-methoxy-5-(1,3-thiazol-2-ylsulfanylmethyl)aniline
CID 61218917
3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide
CID 39245446
2-methoxy-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]aniline
CID 82071195
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CID 94759885

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-(1,3,5-triazin-2-yl)ethyl]aniline?
The IUPAC name of 2-methoxy-5-[2-(1,3,5-triazin-2-yl)ethyl]aniline (CID 82474391) is 2-methoxy-5-[2-(1,3,5-triazin-2-yl)ethyl]aniline.
What is the SMILES notation for 2-methoxy-5-[2-(1,3,5-triazin-2-yl)ethyl]aniline?
The canonical SMILES for 2-methoxy-5-[2-(1,3,5-triazin-2-yl)ethyl]aniline is COc1ccc(CCc2ncncn2)cc1N.
What is the InChIKey of 2-methoxy-5-[2-(1,3,5-triazin-2-yl)ethyl]aniline?
The InChIKey is QKYOOTBCLMBNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-17-11-4-2-9(6-10(11)13)3-5-12-15-7-14-8-16-12/h2,4,6-8H,3,5,13H2,1H3.
What are the key properties of 2-methoxy-5-[2-(1,3,5-triazin-2-yl)ethyl]aniline?
2-methoxy-5-[2-(1,3,5-triazin-2-yl)ethyl]aniline has a molecular weight of 230.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-(1,3,5-triazin-2-yl)ethyl]aniline is sourced from PubChem (CID 82474391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).