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

C12H14FN5 — CID 62737024

IUPACN-[[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESCc1cc(F)ccc1-n1nnnc1CNC1CC1
InChIInChI=1S/C12H14FN5/c1-8-6-9(13)2-5-11(8)18-12(15-16-17-18)7-14-10-3-4-10/h2,5-6,10,14H,3-4,7H2,1H3
InChIKeyYRRWUDFWIGJQFK-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.36
Rot. Bonds4

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

N-[[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 62737024) has the molecular formula C12H14FN5 and a molecular weight of 247.28 g/mol. Its IUPAC name is N-[[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID62737024
Molecular FormulaC12H14FN5
Molecular Weight247.28 g/mol
Exact Mass247.12
IUPAC NameN-[[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESCc1cc(F)ccc1-n1nnnc1CNC1CC1
InChIInChI=1S/C12H14FN5/c1-8-6-9(13)2-5-11(8)18-12(15-16-17-18)7-14-10-3-4-10/h2,5-6,10,14H,3-4,7H2,1H3
InChIKeyYRRWUDFWIGJQFK-UHFFFAOYSA-N
XLogP1.36
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737963
N-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 79771892
1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736655
N-[[1-(4-fluoro-2-methylphenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 63866539
N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737390
N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 104725249
N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 55109524
N-[[1-(2-chloro-5-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 114261277
N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62735534
N-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine
CID 79224024
4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 60672744
N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 55109239

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine (CID 62737024) is N-[[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine is Cc1cc(F)ccc1-n1nnnc1CNC1CC1.
What is the InChIKey of N-[[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is YRRWUDFWIGJQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5/c1-8-6-9(13)2-5-11(8)18-12(15-16-17-18)7-14-10-3-4-10/h2,5-6,10,14H,3-4,7H2,1H3.
What are the key properties of N-[[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 247.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62737024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).