(1R)-2-[benzyl-[(2-methyltetrazol-5-yl)methyl]amino]-1-(3-methylphenyl)ethanol

C19H23N5O — CID 129402782

IUPAC(1R)-2-[benzyl-[(2-methyltetrazol-5-yl)methyl]amino]-1-(3-methylphenyl)ethanol
SMILESCc1cccc([C@@H](O)CN(Cc2ccccc2)Cc2nnn(C)n2)c1
InChIInChI=1S/C19H23N5O/c1-15-7-6-10-17(11-15)18(25)13-24(12-16-8-4-3-5-9-16)14-19-20-22-23(2)21-19/h3-11,18,25H,12-14H2,1-2H3/t18-/m0/s1
InChIKeyMUFKUQUKYSLIKN-SFHVURJKSA-N
MW337.43 g/mol
LogP2.25
Rot. Bonds7

About (1R)-2-[benzyl-[(2-methyltetrazol-5-yl)methyl]amino]-1-(3-methylphenyl)ethanol

(1R)-2-[benzyl-[(2-methyltetrazol-5-yl)methyl]amino]-1-(3-methylphenyl)ethanol (PubChem CID 129402782) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (1R)-2-[benzyl-[(2-methyltetrazol-5-yl)methyl]amino]-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[benzyl-[(2-methyltetrazol-5-yl)methyl]amino]-1-(3-methylphenyl)ethanol
PubChem CID129402782
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(1R)-2-[benzyl-[(2-methyltetrazol-5-yl)methyl]amino]-1-(3-methylphenyl)ethanol
SMILESCc1cccc([C@@H](O)CN(Cc2ccccc2)Cc2nnn(C)n2)c1
InChIInChI=1S/C19H23N5O/c1-15-7-6-10-17(11-15)18(25)13-24(12-16-8-4-3-5-9-16)14-19-20-22-23(2)21-19/h3-11,18,25H,12-14H2,1-2H3/t18-/m0/s1
InChIKeyMUFKUQUKYSLIKN-SFHVURJKSA-N
XLogP2.25
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[benzyl-[(2-methyltetrazol-5-yl)methyl]amino]-1-(3-methylphenyl)ethanol?
The IUPAC name of (1R)-2-[benzyl-[(2-methyltetrazol-5-yl)methyl]amino]-1-(3-methylphenyl)ethanol (CID 129402782) is (1R)-2-[benzyl-[(2-methyltetrazol-5-yl)methyl]amino]-1-(3-methylphenyl)ethanol.
What is the SMILES notation for (1R)-2-[benzyl-[(2-methyltetrazol-5-yl)methyl]amino]-1-(3-methylphenyl)ethanol?
The canonical SMILES for (1R)-2-[benzyl-[(2-methyltetrazol-5-yl)methyl]amino]-1-(3-methylphenyl)ethanol is Cc1cccc([C@@H](O)CN(Cc2ccccc2)Cc2nnn(C)n2)c1.
What is the InChIKey of (1R)-2-[benzyl-[(2-methyltetrazol-5-yl)methyl]amino]-1-(3-methylphenyl)ethanol?
The InChIKey is MUFKUQUKYSLIKN-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23N5O/c1-15-7-6-10-17(11-15)18(25)13-24(12-16-8-4-3-5-9-16)14-19-20-22-23(2)21-19/h3-11,18,25H,12-14H2,1-2H3/t18-/m0/s1.
What are the key properties of (1R)-2-[benzyl-[(2-methyltetrazol-5-yl)methyl]amino]-1-(3-methylphenyl)ethanol?
(1R)-2-[benzyl-[(2-methyltetrazol-5-yl)methyl]amino]-1-(3-methylphenyl)ethanol has a molecular weight of 337.43 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[benzyl-[(2-methyltetrazol-5-yl)methyl]amino]-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 129402782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).