2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline

C14H20N4O — CID 115682395

IUPAC2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline
SMILESCc1cc(OC(C)C)ccc1NCc1cnnn1C
InChIInChI=1S/C14H20N4O/c1-10(2)19-13-5-6-14(11(3)7-13)15-8-12-9-16-17-18(12)4/h5-7,9-10,15H,8H2,1-4H3
InChIKeyWFKDKENMDVLCPV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.52
Rot. Bonds5

About 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline

2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline (PubChem CID 115682395) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline
PubChem CID115682395
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline
SMILESCc1cc(OC(C)C)ccc1NCc1cnnn1C
InChIInChI=1S/C14H20N4O/c1-10(2)19-13-5-6-14(11(3)7-13)15-8-12-9-16-17-18(12)4/h5-7,9-10,15H,8H2,1-4H3
InChIKeyWFKDKENMDVLCPV-UHFFFAOYSA-N
XLogP2.52
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115685525
2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol
CID 64829407
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline
CID 66411969
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline
CID 104749166
2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62474227
2-(difluoromethoxy)-4-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 75434186
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline
CID 102834532
3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115682485
N-[(3-bromo-4-methylphenyl)methyl]-2-methyl-4-propan-2-yloxyaniline
CID 105401404
N-(3,3-dimethylbutyl)-2-methyl-4-propan-2-yloxyaniline
CID 63450883
6-chloro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]pyridin-3-amine
CID 107266310
2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine
CID 66385982

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline?
The IUPAC name of 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline (CID 115682395) is 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline.
What is the SMILES notation for 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline?
The canonical SMILES for 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline is Cc1cc(OC(C)C)ccc1NCc1cnnn1C.
What is the InChIKey of 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline?
The InChIKey is WFKDKENMDVLCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(2)19-13-5-6-14(11(3)7-13)15-8-12-9-16-17-18(12)4/h5-7,9-10,15H,8H2,1-4H3.
What are the key properties of 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline?
2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline has a molecular weight of 260.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline is sourced from PubChem (CID 115682395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).