N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]propan-2-amine

C14H20N4O — CID 66206716

IUPACN-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]propan-2-amine
SMILESCOCc1ccccc1-n1cc(CNC(C)C)nn1
InChIInChI=1S/C14H20N4O/c1-11(2)15-8-13-9-18(17-16-13)14-7-5-4-6-12(14)10-19-3/h4-7,9,11,15H,8,10H2,1-3H3
InChIKeyIOFWPJKYJGKRIX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.91
Rot. Bonds6

About N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]propan-2-amine

N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 66206716) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID66206716
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]propan-2-amine
SMILESCOCc1ccccc1-n1cc(CNC(C)C)nn1
InChIInChI=1S/C14H20N4O/c1-11(2)15-8-13-9-18(17-16-13)14-7-5-4-6-12(14)10-19-3/h4-7,9,11,15H,8,10H2,1-3H3
InChIKeyIOFWPJKYJGKRIX-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 66206254
N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66207117
N-[[1-(2-tert-butylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 66204889
N-[(1-naphthalen-1-yltriazol-4-yl)methyl]propan-2-amine
CID 66206266
3-[1-[2-(methoxymethyl)phenyl]triazol-4-yl]propanoic acid
CID 107460491
N-[[1-(2,5-dimethylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 66205044
N-[(1-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine
CID 66205487
N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]propan-2-amine
CID 66205038
N-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66192029
N-[[1-(2,5-difluoro-4-methylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 103587741
N-[[1-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine
CID 66205643
N-[[1-(4-bromo-3-methoxyphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107623521

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]propan-2-amine (CID 66206716) is N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]propan-2-amine is COCc1ccccc1-n1cc(CNC(C)C)nn1.
What is the InChIKey of N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is IOFWPJKYJGKRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11(2)15-8-13-9-18(17-16-13)14-7-5-4-6-12(14)10-19-3/h4-7,9,11,15H,8,10H2,1-3H3.
What are the key properties of N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]propan-2-amine?
N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66206716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).