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

C14H20N4O — CID 43702990

IUPACN-[(4-ethoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCOc1ccc(CNC(C)c2nncn2C)cc1
InChIInChI=1S/C14H20N4O/c1-4-19-13-7-5-12(6-8-13)9-15-11(2)14-17-16-10-18(14)3/h5-8,10-11,15H,4,9H2,1-3H3
InChIKeyBVVHYMLJNABNAQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.06
Rot. Bonds6

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

N-[(4-ethoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 43702990) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID43702990
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[(4-ethoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCOc1ccc(CNC(C)c2nncn2C)cc1
InChIInChI=1S/C14H20N4O/c1-4-19-13-7-5-12(6-8-13)9-15-11(2)14-17-16-10-18(14)3/h5-8,10-11,15H,4,9H2,1-3H3
InChIKeyBVVHYMLJNABNAQ-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43703003
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 43703063
N-[(6-methyl-3-pyridinyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104753454
N-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine
CID 126806210
N-[2-(4-bromophenoxy)ethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 62117710
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(4-propoxyphenyl)methyl]urea
CID 51084332
2-bromo-4-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol
CID 55148682
1-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62700669
1-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63379059
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 62095975
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372
(2R)-2-(4-ethoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 94120113

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (CID 43702990) is N-[(4-ethoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is CCOc1ccc(CNC(C)c2nncn2C)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is BVVHYMLJNABNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-19-13-7-5-12(6-8-13)9-15-11(2)14-17-16-10-18(14)3/h5-8,10-11,15H,4,9H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
N-[(4-ethoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 260.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 43702990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).