N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine

C14H20N4O — CID 103729437

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCCn1cnnc1CNC(C)c1cccc(OC)c1
InChIInChI=1S/C14H20N4O/c1-4-18-10-16-17-14(18)9-15-11(2)12-6-5-7-13(8-12)19-3/h5-8,10-11,15H,4,9H2,1-3H3
InChIKeyMHPJCKSWNOEFIN-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.16
Rot. Bonds6

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 103729437) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID103729437
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCCn1cnnc1CNC(C)c1cccc(OC)c1
InChIInChI=1S/C14H20N4O/c1-4-18-10-16-17-14(18)9-15-11(2)12-6-5-7-13(8-12)19-3/h5-8,10-11,15H,4,9H2,1-3H3
InChIKeyMHPJCKSWNOEFIN-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 103777574
N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 66133621
(1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376063
1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63328676
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 103777568
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 103777622
1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895169
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 104860852
(1S)-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81372922
(1S)-1-(3-methoxyphenyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 81354542
(1S)-1-(3-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 107077690

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine (CID 103729437) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine is CCn1cnnc1CNC(C)c1cccc(OC)c1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is MHPJCKSWNOEFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-18-10-16-17-14(18)9-15-11(2)12-6-5-7-13(8-12)19-3/h5-8,10-11,15H,4,9H2,1-3H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 260.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 103729437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).