2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine

C15H20ClFN4 — CID 114687612

IUPAC2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(Cc1c(F)cccc1Cl)NCC
InChIInChI=1S/C15H20ClFN4/c1-3-8-21-15(10-19-20-21)14(18-4-2)9-11-12(16)6-5-7-13(11)17/h5-7,10,14,18H,3-4,8-9H2,1-2H3
InChIKeyKEJNMWPKTPQHGK-UHFFFAOYSA-N
MW310.80 g/mol
LogP3.37
Rot. Bonds7

About 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine

2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine (PubChem CID 114687612) has the molecular formula C15H20ClFN4 and a molecular weight of 310.80 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
PubChem CID114687612
Molecular FormulaC15H20ClFN4
Molecular Weight310.80 g/mol
Exact Mass310.14
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(Cc1c(F)cccc1Cl)NCC
InChIInChI=1S/C15H20ClFN4/c1-3-8-21-15(10-19-20-21)14(18-4-2)9-11-12(16)6-5-7-13(11)17/h5-7,10,14,18H,3-4,8-9H2,1-2H3
InChIKeyKEJNMWPKTPQHGK-UHFFFAOYSA-N
XLogP3.37
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)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-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038647
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63962445
2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974493
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
CID 105105535
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63413996
N-ethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 114688493
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687598
2-(2-chloro-6-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857068
N-[(3-chloro-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 103444424
1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688524
2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 105038776
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 114650375

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine (CID 114687612) is 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine is CCCn1nncc1C(Cc1c(F)cccc1Cl)NCC.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine?
The InChIKey is KEJNMWPKTPQHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN4/c1-3-8-21-15(10-19-20-21)14(18-4-2)9-11-12(16)6-5-7-13(11)17/h5-7,10,14,18H,3-4,8-9H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine?
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine has a molecular weight of 310.80 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine is sourced from PubChem (CID 114687612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).