[3,5-difluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine

C11H12F2N4O — CID 107041529

IUPAC[3,5-difluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
SMILESCn1cc(COc2c(F)cc(CN)cc2F)nn1
InChIInChI=1S/C11H12F2N4O/c1-17-5-8(15-16-17)6-18-11-9(12)2-7(4-14)3-10(11)13/h2-3,5H,4,6,14H2,1H3
InChIKeyKEOVQVJJDRVPNB-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.13
Rot. Bonds4

About [3,5-difluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine

[3,5-difluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 107041529) has the molecular formula C11H12F2N4O and a molecular weight of 254.24 g/mol. Its IUPAC name is [3,5-difluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-difluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
PubChem CID107041529
Molecular FormulaC11H12F2N4O
Molecular Weight254.24 g/mol
Exact Mass254.10
IUPAC Name[3,5-difluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
SMILESCn1cc(COc2c(F)cc(CN)cc2F)nn1
InChIInChI=1S/C11H12F2N4O/c1-17-5-8(15-16-17)6-18-11-9(12)2-7(4-14)3-10(11)13/h2-3,5H,4,6,14H2,1H3
InChIKeyKEOVQVJJDRVPNB-UHFFFAOYSA-N
XLogP1.13
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3,5-difluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040773
[3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040783
[3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999868
3-fluoro-4-[(1-methyltriazol-4-yl)methoxy]benzenecarbothioamide
CID 107665921
[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
CID 79886822
4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole
CID 102975429
[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine
CID 79886217
[3,5-difluoro-4-(4-methoxybutoxy)phenyl]methanamine
CID 104647126
4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole
CID 87414714
3,5-dimethyl-4-[(1-methyltriazol-4-yl)methoxy]benzenecarboximidamide
CID 107043385
[3-[(1-methyltriazol-4-yl)methoxy]-1-benzofuran-2-yl]methanamine
CID 107040822
6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol
CID 107702733

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3,5-difluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine (CID 107041529) is [3,5-difluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3,5-difluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3,5-difluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine is Cn1cc(COc2c(F)cc(CN)cc2F)nn1.
What is the InChIKey of [3,5-difluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is KEOVQVJJDRVPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O/c1-17-5-8(15-16-17)6-18-11-9(12)2-7(4-14)3-10(11)13/h2-3,5H,4,6,14H2,1H3.
What are the key properties of [3,5-difluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine?
[3,5-difluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 254.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 107041529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).