N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine

C14H17FN4O — CID 104795563

IUPACN-[[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCOc1cccc(Cn2cc(CNC3CC3)nn2)c1F
InChIInChI=1S/C14H17FN4O/c1-20-13-4-2-3-10(14(13)15)8-19-9-12(17-18-19)7-16-11-5-6-11/h2-4,9,11,16H,5-8H2,1H3
InChIKeyFUGDEHYNPFTPFA-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.73
Rot. Bonds6

About N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 104795563) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID104795563
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC NameN-[[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCOc1cccc(Cn2cc(CNC3CC3)nn2)c1F
InChIInChI=1S/C14H17FN4O/c1-20-13-4-2-3-10(14(13)15)8-19-9-12(17-18-19)7-16-11-5-6-11/h2-4,9,11,16H,5-8H2,1H3
InChIKeyFUGDEHYNPFTPFA-UHFFFAOYSA-N
XLogP1.73
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine 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

N-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193225
N-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66191658
3-[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]propanoic acid
CID 107460776
N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine
CID 66193410
4-(1-bromoethyl)-1-[(2-fluoro-3-methoxyphenyl)methyl]triazole
CID 113453856
N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194177
N-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62451969
N-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193798
N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192447
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194558
N-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62444388
N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 66204621

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine (CID 104795563) is N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine is COc1cccc(Cn2cc(CNC3CC3)nn2)c1F.
What is the InChIKey of N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is FUGDEHYNPFTPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-20-13-4-2-3-10(14(13)15)8-19-9-12(17-18-19)7-16-11-5-6-11/h2-4,9,11,16H,5-8H2,1H3.
What are the key properties of N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 276.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 104795563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).