N-[(1-tert-butyltriazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine

C16H24N4O — CID 103527049

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CCNCc2cn(C(C)(C)C)nn2)c1
InChIInChI=1S/C16H24N4O/c1-16(2,3)20-12-14(18-19-20)11-17-9-8-13-6-5-7-15(10-13)21-4/h5-7,10,12,17H,8-9,11H2,1-4H3
InChIKeyGKPOSTFIARPVQY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.37
Rot. Bonds6

About N-[(1-tert-butyltriazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine

N-[(1-tert-butyltriazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine (PubChem CID 103527049) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine
PubChem CID103527049
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CCNCc2cn(C(C)(C)C)nn2)c1
InChIInChI=1S/C16H24N4O/c1-16(2,3)20-12-14(18-19-20)11-17-9-8-13-6-5-7-15(10-13)21-4/h5-7,10,12,17H,8-9,11H2,1-4H3
InChIKeyGKPOSTFIARPVQY-UHFFFAOYSA-N
XLogP2.37
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(1-tert-butyltriazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 103698589
N-[(1-tert-butyltriazol-4-yl)methyl]-3-phenylpropan-1-amine
CID 103398586
N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 103398948
N-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]ethanamine
CID 66193895
N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 119047912
2-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]ethanamine;hydrochloride
CID 126965303
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 25248276
N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 39402896
2-(3-methoxyphenyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 122166370
2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 62315705

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine (CID 103527049) is N-[(1-tert-butyltriazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine is COc1cccc(CCNCc2cn(C(C)(C)C)nn2)c1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine?
The InChIKey is GKPOSTFIARPVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-16(2,3)20-12-14(18-19-20)11-17-9-8-13-6-5-7-15(10-13)21-4/h5-7,10,12,17H,8-9,11H2,1-4H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine?
N-[(1-tert-butyltriazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine has a molecular weight of 288.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 103527049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).