2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine

C14H20N4O — CID 114687287

IUPAC2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(N)Cc1cccc(OC)c1
InChIInChI=1S/C14H20N4O/c1-3-7-18-14(10-16-17-18)13(15)9-11-5-4-6-12(8-11)19-2/h4-6,8,10,13H,3,7,9,15H2,1-2H3
InChIKeyUZYUVHUIQKOOIP-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.94
Rot. Bonds6

About 2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine

2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine (PubChem CID 114687287) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine
PubChem CID114687287
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(N)Cc1cccc(OC)c1
InChIInChI=1S/C14H20N4O/c1-3-7-18-14(10-16-17-18)13(15)9-11-5-4-6-12(8-11)19-2/h4-6,8,10,13H,3,7,9,15H2,1-2H3
InChIKeyUZYUVHUIQKOOIP-UHFFFAOYSA-N
XLogP1.94
TPSA65.96 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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-propyltriazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 114688165
(2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038798
(1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine
CID 165459865
2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 105038776
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 114648348
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
2-(3-methoxyphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200559
2-(3-methoxyphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 66131044
2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine
CID 62600114
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine
CID 43198146
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine (CID 114687287) is 2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine is CCCn1nncc1C(N)Cc1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine?
The InChIKey is UZYUVHUIQKOOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-7-18-14(10-16-17-18)13(15)9-11-5-4-6-12(8-11)19-2/h4-6,8,10,13H,3,7,9,15H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine?
2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine is sourced from PubChem (CID 114687287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).