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

C14H20FN5 — CID 62762587

IUPACN-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(c1cccc(F)c1)n1nnnc1CNC(C)(C)C
InChIInChI=1S/C14H20FN5/c1-10(11-6-5-7-12(15)8-11)20-13(17-18-19-20)9-16-14(2,3)4/h5-8,10,16H,9H2,1-4H3
InChIKeySYLKTJVIWBUAAC-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.31
Rot. Bonds4

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

N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62762587) 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-2-amine.

Molecular Properties

Compound NameN-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID62762587
Molecular FormulaC14H20FN5
Molecular Weight277.35 g/mol
Exact Mass277.17
IUPAC NameN-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(c1cccc(F)c1)n1nnnc1CNC(C)(C)C
InChIInChI=1S/C14H20FN5/c1-10(11-6-5-7-12(15)8-11)20-13(17-18-19-20)9-16-14(2,3)4/h5-8,10,16H,9H2,1-4H3
InChIKeySYLKTJVIWBUAAC-UHFFFAOYSA-N
XLogP2.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.31
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-1-amine
CID 62762234
N-[[1-[1-(2-chlorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62763846
1-[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103085805
N-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
CID 62763303
2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine
CID 62761534
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
CID 79441221
N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43098837
1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 55152900
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 104878345
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 60694693
(1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81369918

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine (CID 62762587) is N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine is CC(c1cccc(F)c1)n1nnnc1CNC(C)(C)C.
What is the InChIKey of N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is SYLKTJVIWBUAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5/c1-10(11-6-5-7-12(15)8-11)20-13(17-18-19-20)9-16-14(2,3)4/h5-8,10,16H,9H2,1-4H3.
What are the key properties of N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 277.35 g/mol, XLogP of 2.31, 4 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-2-amine is sourced from PubChem (CID 62762587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).