N-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine

C17H26N4 — CID 105182279

IUPACN-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine
SMILESCCCn1nncc1C(CCc1ccccc1C)NCC
InChIInChI=1S/C17H26N4/c1-4-12-21-17(13-19-20-21)16(18-5-2)11-10-15-9-7-6-8-14(15)3/h6-9,13,16,18H,4-5,10-12H2,1-3H3
InChIKeySSZGIEFWZFQVLP-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.28
Rot. Bonds8

About N-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine

N-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine (PubChem CID 105182279) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine
PubChem CID105182279
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine
SMILESCCCn1nncc1C(CCc1ccccc1C)NCC
InChIInChI=1S/C17H26N4/c1-4-12-21-17(13-19-20-21)16(18-5-2)11-10-15-9-7-6-8-14(15)3/h6-9,13,16,18H,4-5,10-12H2,1-3H3
InChIKeySSZGIEFWZFQVLP-UHFFFAOYSA-N
XLogP3.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687384
N-ethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 114688493
3-cyclopentyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038705
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687598
N-ethyl-3-(2-methylphenyl)-1-(4-methylphenyl)propan-1-amine
CID 105092556
1-(2,5-dimethylphenyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 105120553
N-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine
CID 105038801
N-[(3,4-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038808
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine
CID 105149854
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687612
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687571
N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687204

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine (CID 105182279) is N-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine is CCCn1nncc1C(CCc1ccccc1C)NCC.
What is the InChIKey of N-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine?
The InChIKey is SSZGIEFWZFQVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-12-21-17(13-19-20-21)16(18-5-2)11-10-15-9-7-6-8-14(15)3/h6-9,13,16,18H,4-5,10-12H2,1-3H3.
What are the key properties of N-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine?
N-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 105182279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).