N-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine

C15H22FN5 — CID 103085762

IUPACN-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNC(C)c1nnnn1C(C)c1ccc(F)cc1
InChIInChI=1S/C15H22FN5/c1-10(2)9-17-11(3)15-18-19-20-21(15)12(4)13-5-7-14(16)8-6-13/h5-8,10-12,17H,9H2,1-4H3
InChIKeyFLBKJIYIRQBXFW-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.73
Rot. Bonds6

About N-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine

N-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine (PubChem CID 103085762) has the molecular formula C15H22FN5 and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
PubChem CID103085762
Molecular FormulaC15H22FN5
Molecular Weight291.37 g/mol
Exact Mass291.19
IUPAC NameN-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNC(C)c1nnnn1C(C)c1ccc(F)cc1
InChIInChI=1S/C15H22FN5/c1-10(2)9-17-11(3)15-18-19-20-21(15)12(4)13-5-7-14(16)8-6-13/h5-8,10-12,17H,9H2,1-4H3
InChIKeyFLBKJIYIRQBXFW-UHFFFAOYSA-N
XLogP2.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085388
1-[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103085805
[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]methanamine
CID 62761163
2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086468
N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085941
N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085783
N-[1-[1-(3,4-difluorophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085104
2-methyl-N-[1-[1-(1-thiophen-2-ylbutyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085714
N-[1-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084797
N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62762234
N-[1-[1-(2-bromophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084884
N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103085267

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine (CID 103085762) is N-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine is CC(C)CNC(C)c1nnnn1C(C)c1ccc(F)cc1.
What is the InChIKey of N-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
The InChIKey is FLBKJIYIRQBXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5/c1-10(2)9-17-11(3)15-18-19-20-21(15)12(4)13-5-7-14(16)8-6-13/h5-8,10-12,17H,9H2,1-4H3.
What are the key properties of N-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
N-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine has a molecular weight of 291.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103085762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).