1-benzyl-2-[4-[(4S)-2,2-dimethyloxan-4-yl]phenyl]hydrazine

C20H26N2O — CID 178069464

IUPAC1-benzyl-2-[4-[(4S)-2,2-dimethyloxan-4-yl]phenyl]hydrazine
SMILESCC1(C)C[C@@H](c2ccc(NNCc3ccccc3)cc2)CCO1
InChIInChI=1S/C20H26N2O/c1-20(2)14-18(12-13-23-20)17-8-10-19(11-9-17)22-21-15-16-6-4-3-5-7-16/h3-11,18,21-22H,12-15H2,1-2H3/t18-/m0/s1
InChIKeyMFNIFQZONWDNBF-SFHVURJKSA-N
MW310.44 g/mol
LogP4.48
Rot. Bonds5

About 1-benzyl-2-[4-[(4S)-2,2-dimethyloxan-4-yl]phenyl]hydrazine

1-benzyl-2-[4-[(4S)-2,2-dimethyloxan-4-yl]phenyl]hydrazine (PubChem CID 178069464) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-benzyl-2-[4-[(4S)-2,2-dimethyloxan-4-yl]phenyl]hydrazine.

Molecular Properties

Compound Name1-benzyl-2-[4-[(4S)-2,2-dimethyloxan-4-yl]phenyl]hydrazine
PubChem CID178069464
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-benzyl-2-[4-[(4S)-2,2-dimethyloxan-4-yl]phenyl]hydrazine
SMILESCC1(C)C[C@@H](c2ccc(NNCc3ccccc3)cc2)CCO1
InChIInChI=1S/C20H26N2O/c1-20(2)14-18(12-13-23-20)17-8-10-19(11-9-17)22-21-15-16-6-4-3-5-7-16/h3-11,18,21-22H,12-15H2,1-2H3/t18-/m0/s1
InChIKeyMFNIFQZONWDNBF-SFHVURJKSA-N
XLogP4.48
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[4-[(4S)-2,2-dimethyloxan-4-yl]phenyl]hydrazine?
The IUPAC name of 1-benzyl-2-[4-[(4S)-2,2-dimethyloxan-4-yl]phenyl]hydrazine (CID 178069464) is 1-benzyl-2-[4-[(4S)-2,2-dimethyloxan-4-yl]phenyl]hydrazine.
What is the SMILES notation for 1-benzyl-2-[4-[(4S)-2,2-dimethyloxan-4-yl]phenyl]hydrazine?
The canonical SMILES for 1-benzyl-2-[4-[(4S)-2,2-dimethyloxan-4-yl]phenyl]hydrazine is CC1(C)C[C@@H](c2ccc(NNCc3ccccc3)cc2)CCO1.
What is the InChIKey of 1-benzyl-2-[4-[(4S)-2,2-dimethyloxan-4-yl]phenyl]hydrazine?
The InChIKey is MFNIFQZONWDNBF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N2O/c1-20(2)14-18(12-13-23-20)17-8-10-19(11-9-17)22-21-15-16-6-4-3-5-7-16/h3-11,18,21-22H,12-15H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-benzyl-2-[4-[(4S)-2,2-dimethyloxan-4-yl]phenyl]hydrazine?
1-benzyl-2-[4-[(4S)-2,2-dimethyloxan-4-yl]phenyl]hydrazine has a molecular weight of 310.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[4-[(4S)-2,2-dimethyloxan-4-yl]phenyl]hydrazine is sourced from PubChem (CID 178069464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).