N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine

C13H14F3N5 — CID 106210752

IUPACN-[1-[3-(tetrazol-1-yl)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(NC1(C(F)(F)F)CC1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C13H14F3N5/c1-9(18-12(5-6-12)13(14,15)16)10-3-2-4-11(7-10)21-8-17-19-20-21/h2-4,7-9,18H,5-6H2,1H3
InChIKeyRXJBBNYXUJFODA-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.41
Rot. Bonds4

About N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210752) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(tetrazol-1-yl)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210752
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC NameN-[1-[3-(tetrazol-1-yl)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(NC1(C(F)(F)F)CC1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C13H14F3N5/c1-9(18-12(5-6-12)13(14,15)16)10-3-2-4-11(7-10)21-8-17-19-20-21/h2-4,7-9,18H,5-6H2,1H3
InChIKeyRXJBBNYXUJFODA-UHFFFAOYSA-N
XLogP2.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 16776027
1-(3-Trifluoromethyl-phenyl)-1H-tetrazole
CID 825506
1-(4-(1H-1,2,4-Triazol-1-yl)phenyl)ethanamine
CID 4962205
n-[2-(2-Fluorophenyl)ethyl]-1-phenyl-1h-1,2,3,4-tetrazol-5-amine
CID 644714
1-(4-(Trifluoromethyl)phenyl)-1H-tetrazole
CID 46172872
(3-(1H-1,2,4-triazol-1-yl)phenyl)methanamine
CID 11378789
4-(1H-1,2,4-triazol-1-yl)-3-(trifluoromethyl)aniline
CID 47002925
1-cyclopentyl-N-[3-(trifluoromethyl)phenyl]tetrazol-5-amine
CID 9115563
N-benzyl-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine
CID 134815288
N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetraazol-5-amine
CID 1475258
[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]methanamine hydrochloride
CID 122163724
1-phenyl-N-(1-phenylethyl)tetrazol-5-amine
CID 4827100

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210752) is N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine is CC(NC1(C(F)(F)F)CC1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is RXJBBNYXUJFODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5/c1-9(18-12(5-6-12)13(14,15)16)10-3-2-4-11(7-10)21-8-17-19-20-21/h2-4,7-9,18H,5-6H2,1H3.
What are the key properties of N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 297.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).