3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline

C14H20N4O — CID 115682485

IUPAC3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline
SMILESCCC(C)Oc1cccc(NCc2cnnn2C)c1
InChIInChI=1S/C14H20N4O/c1-4-11(2)19-14-7-5-6-12(8-14)15-9-13-10-16-17-18(13)3/h5-8,10-11,15H,4,9H2,1-3H3
InChIKeyUCKJADDYFVDAIJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.60
Rot. Bonds6

About 3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline

3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline (PubChem CID 115682485) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline
PubChem CID115682485
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline
SMILESCCC(C)Oc1cccc(NCc2cnnn2C)c1
InChIInChI=1S/C14H20N4O/c1-4-11(2)19-14-7-5-6-12(8-14)15-9-13-10-16-17-18(13)3/h5-8,10-11,15H,4,9H2,1-3H3
InChIKeyUCKJADDYFVDAIJ-UHFFFAOYSA-N
XLogP2.60
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115682400
3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042351
3-butan-2-yloxy-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555712
2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol
CID 66268122
3-butan-2-yloxy-N-[(2,6-dichlorophenyl)methyl]aniline
CID 63478157
3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 113252285
6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79794177
3-butan-2-yloxy-N-[(4-chlorophenyl)methyl]aniline
CID 54802725
3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 62325026
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62749146
2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline?
The IUPAC name of 3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline (CID 115682485) is 3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline?
The canonical SMILES for 3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline is CCC(C)Oc1cccc(NCc2cnnn2C)c1.
What is the InChIKey of 3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline?
The InChIKey is UCKJADDYFVDAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-11(2)19-14-7-5-6-12(8-14)15-9-13-10-16-17-18(13)3/h5-8,10-11,15H,4,9H2,1-3H3.
What are the key properties of 3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline?
3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline has a molecular weight of 260.34 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline is sourced from PubChem (CID 115682485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).