N-[[3-(difluoromethyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)ethanamine

C11H13F2N5 — CID 113328734

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)ethanamine
SMILESCC(NCc1cccc(C(F)F)c1)c1nn[nH]n1
InChIInChI=1S/C11H13F2N5/c1-7(11-15-17-18-16-11)14-6-8-3-2-4-9(5-8)10(12)13/h2-5,7,10,14H,6H2,1H3,(H,15,16,17,18)
InChIKeyIDOARQWVBXHZIL-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.99
Rot. Bonds5

About N-[[3-(difluoromethyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)ethanamine

N-[[3-(difluoromethyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)ethanamine (PubChem CID 113328734) has the molecular formula C11H13F2N5 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)ethanamine
PubChem CID113328734
Molecular FormulaC11H13F2N5
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)ethanamine
SMILESCC(NCc1cccc(C(F)F)c1)c1nn[nH]n1
InChIInChI=1S/C11H13F2N5/c1-7(11-15-17-18-16-11)14-6-8-3-2-4-9(5-8)10(12)13/h2-5,7,10,14H,6H2,1H3,(H,15,16,17,18)
InChIKeyIDOARQWVBXHZIL-UHFFFAOYSA-N
XLogP1.99
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide
CID 55172421
1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 115526020
N-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 115526384
2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 115526569
N-[[3-(difluoromethyl)phenyl]methyl]-1,1-dimethoxypropan-2-amine
CID 113328759
N-[[3-(difluoromethyl)phenyl]methyl]-6-methylpyridin-3-amine
CID 115526695
N-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine
CID 115526455
3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051321
N-[(1-propylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 103571505
1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine
CID 79007809
N-[[3-(difluoromethyl)phenyl]methyl]prop-2-yn-1-amine
CID 115525876
N-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine
CID 115526620

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)ethanamine?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)ethanamine (CID 113328734) is N-[[3-(difluoromethyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)ethanamine.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)ethanamine?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)ethanamine is CC(NCc1cccc(C(F)F)c1)c1nn[nH]n1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)ethanamine?
The InChIKey is IDOARQWVBXHZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5/c1-7(11-15-17-18-16-11)14-6-8-3-2-4-9(5-8)10(12)13/h2-5,7,10,14H,6H2,1H3,(H,15,16,17,18).
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)ethanamine?
N-[[3-(difluoromethyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)ethanamine has a molecular weight of 253.26 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)ethanamine is sourced from PubChem (CID 113328734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).