1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine

C10H12FN5 — CID 62736655

IUPAC1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1-c1ccc(F)cc1C
InChIInChI=1S/C10H12FN5/c1-7-5-8(11)3-4-9(7)16-10(6-12-2)13-14-15-16/h3-5,12H,6H2,1-2H3
InChIKeyBIVFSTRDTBRHLQ-UHFFFAOYSA-N
MW221.24 g/mol
LogP0.83
Rot. Bonds3

About 1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine

1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine (PubChem CID 62736655) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is 1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
PubChem CID62736655
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1-c1ccc(F)cc1C
InChIInChI=1S/C10H12FN5/c1-7-5-8(11)3-4-9(7)16-10(6-12-2)13-14-15-16/h3-5,12H,6H2,1-2H3
InChIKeyBIVFSTRDTBRHLQ-UHFFFAOYSA-N
XLogP0.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737024
1-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 107594138
N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62735534
1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737014
1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 82819907
1-[1-(2-fluoro-4-nitrophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62762967
N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 55109239
N-[[1-(4-bromo-2-methylphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62738119
N-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]methanamine
CID 62737570
N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737963
1-[1-[4-bromo-2-(trifluoromethoxy)phenyl]tetrazol-5-yl]-N-methylmethanamine
CID 103193619
N-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 79771892

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine (CID 62736655) is 1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine is CNCc1nnnn1-c1ccc(F)cc1C.
What is the InChIKey of 1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine?
The InChIKey is BIVFSTRDTBRHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-7-5-8(11)3-4-9(7)16-10(6-12-2)13-14-15-16/h3-5,12H,6H2,1-2H3.
What are the key properties of 1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine?
1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine has a molecular weight of 221.24 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 62736655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).