N-ethyl-2-(1-methyltriazol-4-yl)-1-(3-propan-2-yloxyphenyl)ethanamine

C16H24N4O — CID 107064481

IUPACN-ethyl-2-(1-methyltriazol-4-yl)-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCCNC(Cc1cn(C)nn1)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H24N4O/c1-5-17-16(10-14-11-20(4)19-18-14)13-7-6-8-15(9-13)21-12(2)3/h6-9,11-12,16-17H,5,10H2,1-4H3
InChIKeyWQVMJLFNEOVEJO-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.50
Rot. Bonds7

About N-ethyl-2-(1-methyltriazol-4-yl)-1-(3-propan-2-yloxyphenyl)ethanamine

N-ethyl-2-(1-methyltriazol-4-yl)-1-(3-propan-2-yloxyphenyl)ethanamine (PubChem CID 107064481) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-ethyl-2-(1-methyltriazol-4-yl)-1-(3-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methyltriazol-4-yl)-1-(3-propan-2-yloxyphenyl)ethanamine
PubChem CID107064481
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-ethyl-2-(1-methyltriazol-4-yl)-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCCNC(Cc1cn(C)nn1)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H24N4O/c1-5-17-16(10-14-11-20(4)19-18-14)13-7-6-8-15(9-13)21-12(2)3/h6-9,11-12,16-17H,5,10H2,1-4H3
InChIKeyWQVMJLFNEOVEJO-UHFFFAOYSA-N
XLogP2.50
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(1-methyltriazol-4-yl)-1-naphthalen-2-ylethanamine
CID 107048978
1-(3,4-dichlorophenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050517
1-(4-bromophenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107048451
3-(ethylamino)-3-(3-propan-2-yloxyphenyl)propanamide
CID 65233677
1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050660
1-(3-ethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876306
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115841598
N-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine
CID 115845454
N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 103028638
2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 116661791
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methyltriazol-4-yl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(1-methyltriazol-4-yl)-1-(3-propan-2-yloxyphenyl)ethanamine (CID 107064481) is N-ethyl-2-(1-methyltriazol-4-yl)-1-(3-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-methyltriazol-4-yl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-methyltriazol-4-yl)-1-(3-propan-2-yloxyphenyl)ethanamine is CCNC(Cc1cn(C)nn1)c1cccc(OC(C)C)c1.
What is the InChIKey of N-ethyl-2-(1-methyltriazol-4-yl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The InChIKey is WQVMJLFNEOVEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-17-16(10-14-11-20(4)19-18-14)13-7-6-8-15(9-13)21-12(2)3/h6-9,11-12,16-17H,5,10H2,1-4H3.
What are the key properties of N-ethyl-2-(1-methyltriazol-4-yl)-1-(3-propan-2-yloxyphenyl)ethanamine?
N-ethyl-2-(1-methyltriazol-4-yl)-1-(3-propan-2-yloxyphenyl)ethanamine has a molecular weight of 288.40 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methyltriazol-4-yl)-1-(3-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 107064481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).