N-[(4-fluorophenyl)methyl]-N-methyl-2-(triazol-1-yl)ethanamine

C12H15FN4 — CID 91651235

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-(triazol-1-yl)ethanamine
SMILESCN(CCn1ccnn1)Cc1ccc(F)cc1
InChIInChI=1S/C12H15FN4/c1-16(8-9-17-7-6-14-15-17)10-11-2-4-12(13)5-3-11/h2-7H,8-10H2,1H3
InChIKeyHEKGYGLDFNMQDQ-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.55
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-methyl-2-(triazol-1-yl)ethanamine

N-[(4-fluorophenyl)methyl]-N-methyl-2-(triazol-1-yl)ethanamine (PubChem CID 91651235) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-(triazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-(triazol-1-yl)ethanamine
PubChem CID91651235
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-(triazol-1-yl)ethanamine
SMILESCN(CCn1ccnn1)Cc1ccc(F)cc1
InChIInChI=1S/C12H15FN4/c1-16(8-9-17-7-6-14-15-17)10-11-2-4-12(13)5-3-11/h2-7H,8-10H2,1H3
InChIKeyHEKGYGLDFNMQDQ-UHFFFAOYSA-N
XLogP1.55
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-(triazol-1-yl)ethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-(triazol-1-yl)ethanamine (CID 91651235) is N-[(4-fluorophenyl)methyl]-N-methyl-2-(triazol-1-yl)ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-(triazol-1-yl)ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-(triazol-1-yl)ethanamine is CN(CCn1ccnn1)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-(triazol-1-yl)ethanamine?
The InChIKey is HEKGYGLDFNMQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-16(8-9-17-7-6-14-15-17)10-11-2-4-12(13)5-3-11/h2-7H,8-10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-(triazol-1-yl)ethanamine?
N-[(4-fluorophenyl)methyl]-N-methyl-2-(triazol-1-yl)ethanamine has a molecular weight of 234.28 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-(triazol-1-yl)ethanamine is sourced from PubChem (CID 91651235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).