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

C13H18FN5 — CID 107048347

IUPACN-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)c1cccc(F)c1
InChIInChI=1S/C13H18FN5/c1-3-7-15-12(9-13-16-18-19(2)17-13)10-5-4-6-11(14)8-10/h4-6,8,12,15H,3,7,9H2,1-2H3
InChIKeyBUQAAOMIYLTQIP-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.63
Rot. Bonds6

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

N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine (PubChem CID 107048347) has the molecular formula C13H18FN5 and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
PubChem CID107048347
Molecular FormulaC13H18FN5
Molecular Weight263.32 g/mol
Exact Mass263.15
IUPAC NameN-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)c1cccc(F)c1
InChIInChI=1S/C13H18FN5/c1-3-7-15-12(9-13-16-18-19(2)17-13)10-5-4-6-11(14)8-10/h4-6,8,12,15H,3,7,9H2,1-2H3
InChIKeyBUQAAOMIYLTQIP-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-bromo-5-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107049735
N-[1-(3,5-dibromophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107978041
N-[1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82877484
N-[1-(4-methoxy-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107050578
1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048532
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107051286
N-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107064889
N-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065126
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107996069
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049652
N-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 107048370
1-(3-ethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048319

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine (CID 107048347) is N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1nnn(C)n1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is BUQAAOMIYLTQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN5/c1-3-7-15-12(9-13-16-18-19(2)17-13)10-5-4-6-11(14)8-10/h4-6,8,12,15H,3,7,9H2,1-2H3.
What are the key properties of N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 263.32 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107048347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).