4-phenyl-1-phenylmethoxycyclohexa-2,4-dien-1-amine

C19H19NO — CID 68786402

IUPAC4-phenyl-1-phenylmethoxycyclohexa-2,4-dien-1-amine
SMILESNC1(OCc2ccccc2)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C19H19NO/c20-19(21-15-16-7-3-1-4-8-16)13-11-18(12-14-19)17-9-5-2-6-10-17/h1-13H,14-15,20H2
InChIKeyMETATXNUZCROMC-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.90
Rot. Bonds4

About 4-phenyl-1-phenylmethoxycyclohexa-2,4-dien-1-amine

4-phenyl-1-phenylmethoxycyclohexa-2,4-dien-1-amine (PubChem CID 68786402) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-phenyl-1-phenylmethoxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-phenyl-1-phenylmethoxycyclohexa-2,4-dien-1-amine
PubChem CID68786402
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name4-phenyl-1-phenylmethoxycyclohexa-2,4-dien-1-amine
SMILESNC1(OCc2ccccc2)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C19H19NO/c20-19(21-15-16-7-3-1-4-8-16)13-11-18(12-14-19)17-9-5-2-6-10-17/h1-13H,14-15,20H2
InChIKeyMETATXNUZCROMC-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-phenylmethoxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-phenyl-1-phenylmethoxycyclohexa-2,4-dien-1-amine (CID 68786402) is 4-phenyl-1-phenylmethoxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-phenyl-1-phenylmethoxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-phenyl-1-phenylmethoxycyclohexa-2,4-dien-1-amine is NC1(OCc2ccccc2)C=CC(c2ccccc2)=CC1.
What is the InChIKey of 4-phenyl-1-phenylmethoxycyclohexa-2,4-dien-1-amine?
The InChIKey is METATXNUZCROMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c20-19(21-15-16-7-3-1-4-8-16)13-11-18(12-14-19)17-9-5-2-6-10-17/h1-13H,14-15,20H2.
What are the key properties of 4-phenyl-1-phenylmethoxycyclohexa-2,4-dien-1-amine?
4-phenyl-1-phenylmethoxycyclohexa-2,4-dien-1-amine has a molecular weight of 277.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-phenylmethoxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 68786402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).