1-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine

C11H16FN5O — CID 142457056

IUPAC1-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine
SMILESCOC(c1ccc(C2=NNNN2)cc1)C(N)CF
InChIInChI=1S/C11H16FN5O/c1-18-10(9(13)6-12)7-2-4-8(5-3-7)11-14-16-17-15-11/h2-5,9-10,16-17H,6,13H2,1H3,(H,14,15)
InChIKeyNSHYBCXLGJYPDG-UHFFFAOYSA-N
MW253.28 g/mol
LogP-0.06
Rot. Bonds5

About 1-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine

1-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine (PubChem CID 142457056) has the molecular formula C11H16FN5O and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine
PubChem CID142457056
Molecular FormulaC11H16FN5O
Molecular Weight253.28 g/mol
Exact Mass253.13
IUPAC Name1-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine
SMILESCOC(c1ccc(C2=NNNN2)cc1)C(N)CF
InChIInChI=1S/C11H16FN5O/c1-18-10(9(13)6-12)7-2-4-8(5-3-7)11-14-16-17-15-11/h2-5,9-10,16-17H,6,13H2,1H3,(H,14,15)
InChIKeyNSHYBCXLGJYPDG-UHFFFAOYSA-N
XLogP-0.06
TPSA83.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine?
The IUPAC name of 1-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine (CID 142457056) is 1-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine is COC(c1ccc(C2=NNNN2)cc1)C(N)CF.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine?
The InChIKey is NSHYBCXLGJYPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5O/c1-18-10(9(13)6-12)7-2-4-8(5-3-7)11-14-16-17-15-11/h2-5,9-10,16-17H,6,13H2,1H3,(H,14,15).
What are the key properties of 1-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine?
1-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine has a molecular weight of 253.28 g/mol, XLogP of -0.06, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine is sourced from PubChem (CID 142457056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).