N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine

C12H15F2N5 — CID 62763143

IUPACN-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C12H15F2N5/c1-8(2)6-15-7-11-16-17-18-19(11)10-5-3-4-9(13)12(10)14/h3-5,8,15H,6-7H2,1-2H3
InChIKeyNMFCHTKOQKSPFT-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.69
Rot. Bonds5

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

N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62763143) has the molecular formula C12H15F2N5 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID62763143
Molecular FormulaC12H15F2N5
Molecular Weight267.28 g/mol
Exact Mass267.13
IUPAC NameN-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C12H15F2N5/c1-8(2)6-15-7-11-16-17-18-19(11)10-5-3-4-9(13)12(10)14/h3-5,8,15H,6-7H2,1-2H3
InChIKeyNMFCHTKOQKSPFT-UHFFFAOYSA-N
XLogP1.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 55109541
N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62763326
N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107639471
N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62763334
N-[[1-(2-bromo-4,6-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62737789
2-methyl-N-[[1-(3-methylsulfanylphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 55109200
N-[[1-(4-bromo-2-methylphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62738119
N-[[1-(3-methoxyphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 55109096
N-[[1-(3-fluoro-4-methoxyphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62737032
N-[1-[1-(2,3-difluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085956
2-methyl-N-[[1-(2,4,6-tribromophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62735899
N-[[3-(3-chloro-2-fluorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107451294

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine (CID 62763143) is N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nnnn1-c1cccc(F)c1F.
What is the InChIKey of N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NMFCHTKOQKSPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5/c1-8(2)6-15-7-11-16-17-18-19(11)10-5-3-4-9(13)12(10)14/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 267.28 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62763143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).