2-[(4-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine

C13H18FN5 — CID 107052945

IUPAC2-[(4-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCNCC(Cc1ccc(F)cc1)Cc1nnn(C)n1
InChIInChI=1S/C13H18FN5/c1-15-9-11(8-13-16-18-19(2)17-13)7-10-3-5-12(14)6-4-10/h3-6,11,15H,7-9H2,1-2H3
InChIKeyJJFPYZDYIMPYGM-UHFFFAOYSA-N
MW263.32 g/mol
LogP0.97
Rot. Bonds6

About 2-[(4-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine

2-[(4-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine (PubChem CID 107052945) has the molecular formula C13H18FN5 and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
PubChem CID107052945
Molecular FormulaC13H18FN5
Molecular Weight263.32 g/mol
Exact Mass263.15
IUPAC Name2-[(4-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCNCC(Cc1ccc(F)cc1)Cc1nnn(C)n1
InChIInChI=1S/C13H18FN5/c1-15-9-11(8-13-16-18-19(2)17-13)7-10-3-5-12(14)6-4-10/h3-6,11,15H,7-9H2,1-2H3
InChIKeyJJFPYZDYIMPYGM-UHFFFAOYSA-N
XLogP0.97
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine (CID 107052945) is 2-[(4-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine is CNCC(Cc1ccc(F)cc1)Cc1nnn(C)n1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
The InChIKey is JJFPYZDYIMPYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN5/c1-15-9-11(8-13-16-18-19(2)17-13)7-10-3-5-12(14)6-4-10/h3-6,11,15H,7-9H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
2-[(4-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine has a molecular weight of 263.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine is sourced from PubChem (CID 107052945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).