(2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine

C14H20N4O2 — CID 105038798

IUPAC(2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1ccc(OC)cc1OC
InChIInChI=1S/C14H20N4O2/c1-4-7-18-12(9-16-17-18)14(15)11-6-5-10(19-2)8-13(11)20-3/h5-6,8-9,14H,4,7,15H2,1-3H3
InChIKeyFXZKMWBDCWYWFC-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.75
Rot. Bonds6

About (2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine

(2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine (PubChem CID 105038798) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine
PubChem CID105038798
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1ccc(OC)cc1OC
InChIInChI=1S/C14H20N4O2/c1-4-7-18-12(9-16-17-18)14(15)11-6-5-10(19-2)8-13(11)20-3/h5-6,8-9,14H,4,7,15H2,1-3H3
InChIKeyFXZKMWBDCWYWFC-UHFFFAOYSA-N
XLogP1.75
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687287
(2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038562
(2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114687630
(2-methoxy-3-pyridinyl)-(3-propyltriazol-4-yl)methanamine
CID 105182118
(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047931
(4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 115834072
N-[(2-bromo-5-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105182104
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
(3-propyltriazol-4-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105038579
(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 105148079
1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114686853
(3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684701

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of (2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine (CID 105038798) is (2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for (2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(N)c1ccc(OC)cc1OC.
What is the InChIKey of (2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine?
The InChIKey is FXZKMWBDCWYWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-7-18-12(9-16-17-18)14(15)11-6-5-10(19-2)8-13(11)20-3/h5-6,8-9,14H,4,7,15H2,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine?
(2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine has a molecular weight of 276.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 105038798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).