1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine

C16H24N4O — CID 107041224

IUPAC1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(OCc2cn(C)nn2)cc1
InChIInChI=1S/C16H24N4O/c1-4-10-17-16(5-2)13-6-8-15(9-7-13)21-12-14-11-20(3)19-18-14/h6-9,11,16-17H,4-5,10,12H2,1-3H3
InChIKeyWMCAUJDTLJQJJX-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.84
Rot. Bonds8

About 1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine

1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine (PubChem CID 107041224) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine
PubChem CID107041224
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(OCc2cn(C)nn2)cc1
InChIInChI=1S/C16H24N4O/c1-4-10-17-16(5-2)13-6-8-15(9-7-13)21-12-14-11-20(3)19-18-14/h6-9,11,16-17H,4-5,10,12H2,1-3H3
InChIKeyWMCAUJDTLJQJJX-UHFFFAOYSA-N
XLogP2.84
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-pentoxyphenyl)-N-propylpropan-1-amine
CID 43280171
1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-propylpropan-1-amine
CID 60888596
[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040773
N-[(1-methyltriazol-4-yl)methyl]-1-phenylpropan-1-amine
CID 62755644
N-methyl-1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]propan-2-amine
CID 107041583
N-ethyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine
CID 60889160
N-[1-[4-bromo-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 107041724
1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine
CID 60887233
1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole
CID 103866206
N-[1-(5-chlorofuran-2-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064238
N-[1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064185
3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol
CID 82850496

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine (CID 107041224) is 1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccc(OCc2cn(C)nn2)cc1.
What is the InChIKey of 1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine?
The InChIKey is WMCAUJDTLJQJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-10-17-16(5-2)13-6-8-15(9-7-13)21-12-14-11-20(3)19-18-14/h6-9,11,16-17H,4-5,10,12H2,1-3H3.
What are the key properties of 1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine?
1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine has a molecular weight of 288.40 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 107041224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).