N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine

C14H20FN5 — CID 62762234

IUPACN-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nnnn1C(C)c1cccc(F)c1
InChIInChI=1S/C14H20FN5/c1-10(2)8-16-9-14-17-18-19-20(14)11(3)12-5-4-6-13(15)7-12/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyCPFMRSCOBCYPQX-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.17
Rot. Bonds6

About N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62762234) has the molecular formula C14H20FN5 and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID62762234
Molecular FormulaC14H20FN5
Molecular Weight277.35 g/mol
Exact Mass277.17
IUPAC NameN-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nnnn1C(C)c1cccc(F)c1
InChIInChI=1S/C14H20FN5/c1-10(2)8-16-9-14-17-18-19-20(14)11(3)12-5-4-6-13(15)7-12/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyCPFMRSCOBCYPQX-UHFFFAOYSA-N
XLogP2.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62762587
N-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
CID 62763303
N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107639471
N-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66149670
1-[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103085805
N-[[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 55109541
2-methyl-N-[[1-(3-methylsulfanylphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 55109200
2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66243831
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
N-[[1-(3-methoxyphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 55109096
N-[[1-(2-bromo-4,6-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62737789
2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 79440050

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine (CID 62762234) is N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nnnn1C(C)c1cccc(F)c1.
What is the InChIKey of N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is CPFMRSCOBCYPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5/c1-10(2)8-16-9-14-17-18-19-20(14)11(3)12-5-4-6-13(15)7-12/h4-7,10-11,16H,8-9H2,1-3H3.
What are the key properties of N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 277.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62762234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).