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

N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103903267
2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61166998
N-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43684011
3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol
CID 43207009
2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine
CID 43194972
N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pent-3-yn-1-amine
CID 116642927
N-(2-methylsulfinylethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 115720609
3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 43205101
N-(1,2-oxazol-5-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 106415586
N-[1-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43781131
2-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]benzonitrile
CID 43823269
4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide
CID 60865372

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).