N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isochromen-8-amine

C19H21N5O — CID 167820312

IUPACN-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isochromen-8-amine
SMILESc1ccc(CCn2nnnc2CNc2cccc3c2COCC3)cc1
InChIInChI=1S/C19H21N5O/c1-2-5-15(6-3-1)9-11-24-19(21-22-23-24)13-20-18-8-4-7-16-10-12-25-14-17(16)18/h1-8,20H,9-14H2
InChIKeyFUEZAYGOUCSIBK-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.60
Rot. Bonds6

About N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isochromen-8-amine

N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isochromen-8-amine (PubChem CID 167820312) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isochromen-8-amine.

Molecular Properties

Compound NameN-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isochromen-8-amine
PubChem CID167820312
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isochromen-8-amine
SMILESc1ccc(CCn2nnnc2CNc2cccc3c2COCC3)cc1
InChIInChI=1S/C19H21N5O/c1-2-5-15(6-3-1)9-11-24-19(21-22-23-24)13-20-18-8-4-7-16-10-12-25-14-17(16)18/h1-8,20H,9-14H2
InChIKeyFUEZAYGOUCSIBK-UHFFFAOYSA-N
XLogP2.60
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isochromen-8-amine?
The IUPAC name of N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isochromen-8-amine (CID 167820312) is N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isochromen-8-amine.
What is the SMILES notation for N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isochromen-8-amine?
The canonical SMILES for N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isochromen-8-amine is c1ccc(CCn2nnnc2CNc2cccc3c2COCC3)cc1.
What is the InChIKey of N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isochromen-8-amine?
The InChIKey is FUEZAYGOUCSIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-5-15(6-3-1)9-11-24-19(21-22-23-24)13-20-18-8-4-7-16-10-12-25-14-17(16)18/h1-8,20H,9-14H2.
What are the key properties of N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isochromen-8-amine?
N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isochromen-8-amine has a molecular weight of 335.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isochromen-8-amine is sourced from PubChem (CID 167820312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).