2-[2-phenylethyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethanol

C18H21N5O — CID 111121816

IUPAC2-[2-phenylethyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethanol
SMILESOCCN(CCc1ccccc1)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C18H21N5O/c24-14-13-22(12-11-16-7-3-1-4-8-16)15-18-19-20-21-23(18)17-9-5-2-6-10-17/h1-10,24H,11-15H2
InChIKeyQXWYUWNMNZRTCK-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.70
Rot. Bonds8

About 2-[2-phenylethyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethanol

2-[2-phenylethyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethanol (PubChem CID 111121816) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[2-phenylethyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-phenylethyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethanol
PubChem CID111121816
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-[2-phenylethyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethanol
SMILESOCCN(CCc1ccccc1)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C18H21N5O/c24-14-13-22(12-11-16-7-3-1-4-8-16)15-18-19-20-21-23(18)17-9-5-2-6-10-17/h1-10,24H,11-15H2
InChIKeyQXWYUWNMNZRTCK-UHFFFAOYSA-N
XLogP1.70
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-phenylethyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethanol?
The IUPAC name of 2-[2-phenylethyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethanol (CID 111121816) is 2-[2-phenylethyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2-phenylethyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[2-phenylethyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethanol is OCCN(CCc1ccccc1)Cc1nnnn1-c1ccccc1.
What is the InChIKey of 2-[2-phenylethyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethanol?
The InChIKey is QXWYUWNMNZRTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c24-14-13-22(12-11-16-7-3-1-4-8-16)15-18-19-20-21-23(18)17-9-5-2-6-10-17/h1-10,24H,11-15H2.
What are the key properties of 2-[2-phenylethyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethanol?
2-[2-phenylethyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethanol has a molecular weight of 323.40 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenylethyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 111121816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).