N-ethyl-2-(1-methyltriazol-4-yl)-1-naphthalen-2-ylethanamine

C17H20N4 — CID 107048978

IUPACN-ethyl-2-(1-methyltriazol-4-yl)-1-naphthalen-2-ylethanamine
SMILESCCNC(Cc1cn(C)nn1)c1ccc2ccccc2c1
InChIInChI=1S/C17H20N4/c1-3-18-17(11-16-12-21(2)20-19-16)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,17-18H,3,11H2,1-2H3
InChIKeyVDKRHMMXZXXVQD-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.86
Rot. Bonds5

About N-ethyl-2-(1-methyltriazol-4-yl)-1-naphthalen-2-ylethanamine

N-ethyl-2-(1-methyltriazol-4-yl)-1-naphthalen-2-ylethanamine (PubChem CID 107048978) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-ethyl-2-(1-methyltriazol-4-yl)-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methyltriazol-4-yl)-1-naphthalen-2-ylethanamine
PubChem CID107048978
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-ethyl-2-(1-methyltriazol-4-yl)-1-naphthalen-2-ylethanamine
SMILESCCNC(Cc1cn(C)nn1)c1ccc2ccccc2c1
InChIInChI=1S/C17H20N4/c1-3-18-17(11-16-12-21(2)20-19-16)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,17-18H,3,11H2,1-2H3
InChIKeyVDKRHMMXZXXVQD-UHFFFAOYSA-N
XLogP2.86
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050517
N-ethyl-2-(1-methyltriazol-4-yl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 107064481
1-(4-bromophenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107048451
N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine
CID 62799174
1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050660
[2-(1-methyltriazol-4-yl)-1-quinolin-6-ylethyl]hydrazine
CID 107066065
N-ethyl-1-naphthalen-2-ylbutan-1-amine
CID 62716918
N-ethyl-1-(5-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063898
N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine
CID 107048557
N-[1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064185
N-ethyl-1-(3-fluoro-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107050554
N-ethyl-2-(1-methyltriazol-4-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 107064291

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methyltriazol-4-yl)-1-naphthalen-2-ylethanamine?
The IUPAC name of N-ethyl-2-(1-methyltriazol-4-yl)-1-naphthalen-2-ylethanamine (CID 107048978) is N-ethyl-2-(1-methyltriazol-4-yl)-1-naphthalen-2-ylethanamine.
What is the SMILES notation for N-ethyl-2-(1-methyltriazol-4-yl)-1-naphthalen-2-ylethanamine?
The canonical SMILES for N-ethyl-2-(1-methyltriazol-4-yl)-1-naphthalen-2-ylethanamine is CCNC(Cc1cn(C)nn1)c1ccc2ccccc2c1.
What is the InChIKey of N-ethyl-2-(1-methyltriazol-4-yl)-1-naphthalen-2-ylethanamine?
The InChIKey is VDKRHMMXZXXVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-18-17(11-16-12-21(2)20-19-16)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,17-18H,3,11H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methyltriazol-4-yl)-1-naphthalen-2-ylethanamine?
N-ethyl-2-(1-methyltriazol-4-yl)-1-naphthalen-2-ylethanamine has a molecular weight of 280.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methyltriazol-4-yl)-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 107048978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).