N-(benzotriazol-1-ylmethyl)-2-methoxyaniline

C14H14N4O — CID 708613

IUPACN-(benzotriazol-1-ylmethyl)-2-methoxyaniline
SMILESCOc1ccccc1NCn1nnc2ccccc21
InChIInChI=1S/C14H14N4O/c1-19-14-9-5-3-7-12(14)15-10-18-13-8-4-2-6-11(13)16-17-18/h2-9,15H,10H2,1H3
InChIKeyYOTSBCWRLGXEHW-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.51
Rot. Bonds4

About N-(benzotriazol-1-ylmethyl)-2-methoxyaniline

N-(benzotriazol-1-ylmethyl)-2-methoxyaniline (PubChem CID 708613) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)-2-methoxyaniline.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)-2-methoxyaniline
PubChem CID708613
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-(benzotriazol-1-ylmethyl)-2-methoxyaniline
SMILESCOc1ccccc1NCn1nnc2ccccc21
InChIInChI=1S/C14H14N4O/c1-19-14-9-5-3-7-12(14)15-10-18-13-8-4-2-6-11(13)16-17-18/h2-9,15H,10H2,1H3
InChIKeyYOTSBCWRLGXEHW-UHFFFAOYSA-N
XLogP2.51
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzotriazol-1-yl)-N-methoxymethanamine
CID 130251887
2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide
CID 8002209
N-(benzotriazol-1-ylmethyl)-2,3-dichloroaniline
CID 761479
N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide
CID 17457964
N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine
CID 3696751
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]acetamide
CID 8975052
methyl 4-(benzotriazol-1-yl)-2,2-dimethyl-3-oxobutanoate
CID 112752297
2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine
CID 1240078
1-(2-methoxyphenyl)benzotriazole
CID 53415460
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]acetamide
CID 8975811
1-[(2,4,6-trimethoxyphenyl)methyl]benzotriazole
CID 3839350
N-(benzotriazol-1-ylmethyl)-2,5-dichloroaniline
CID 683943

Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)-2-methoxyaniline?
The IUPAC name of N-(benzotriazol-1-ylmethyl)-2-methoxyaniline (CID 708613) is N-(benzotriazol-1-ylmethyl)-2-methoxyaniline.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)-2-methoxyaniline?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)-2-methoxyaniline is COc1ccccc1NCn1nnc2ccccc21.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)-2-methoxyaniline?
The InChIKey is YOTSBCWRLGXEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-19-14-9-5-3-7-12(14)15-10-18-13-8-4-2-6-11(13)16-17-18/h2-9,15H,10H2,1H3.
What are the key properties of N-(benzotriazol-1-ylmethyl)-2-methoxyaniline?
N-(benzotriazol-1-ylmethyl)-2-methoxyaniline has a molecular weight of 254.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)-2-methoxyaniline is sourced from PubChem (CID 708613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).