4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine

C16H13ClN4O — CID 22496155

IUPAC4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine
SMILESClc1ncnc(Nc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C16H13ClN4O/c17-15-18-11-19-16(21-15)20-13-6-8-14(9-7-13)22-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,19,20,21)
InChIKeyVWZCSKCQBDJIQG-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.85
Rot. Bonds5

About 4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine

4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 22496155) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID22496155
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine
SMILESClc1ncnc(Nc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C16H13ClN4O/c17-15-18-11-19-16(21-15)20-13-6-8-14(9-7-13)22-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,19,20,21)
InChIKeyVWZCSKCQBDJIQG-UHFFFAOYSA-N
XLogP3.85
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
CID 130156888
N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine
CID 66493776
6-chloro-N-(4-phenylmethoxyphenyl)pyrazin-2-amine
CID 130156889
4-chloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine
CID 172686201
7-chloro-6-nitro-N-(4-phenylmethoxyphenyl)quinazolin-2-amine
CID 156788527
N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884582
2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901232
6-fluoro-N-(4-phenylmethoxyphenyl)pyridin-2-amine
CID 130565967
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112906273
4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112901890
4-N-(2-methoxyphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112904554

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine (CID 22496155) is 4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine is Clc1ncnc(Nc2ccc(OCc3ccccc3)cc2)n1.
What is the InChIKey of 4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is VWZCSKCQBDJIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-15-18-11-19-16(21-15)20-13-6-8-14(9-7-13)22-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,19,20,21).
What are the key properties of 4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine?
4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 312.76 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 22496155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).