4-[[1-[3-(4-naphthalen-2-ylphenyl)propyl]cyclopropyl]amino]phenol

C28H27NO — CID 145127977

IUPAC4-[[1-[3-(4-naphthalen-2-ylphenyl)propyl]cyclopropyl]amino]phenol
SMILESOc1ccc(NC2(CCCc3ccc(-c4ccc5ccccc5c4)cc3)CC2)cc1
InChIInChI=1S/C28H27NO/c30-27-15-13-26(14-16-27)29-28(18-19-28)17-3-4-21-7-9-23(10-8-21)25-12-11-22-5-1-2-6-24(22)20-25/h1-2,5-16,20,29-30H,3-4,17-19H2
InChIKeyJQCMSFRDFABLST-UHFFFAOYSA-N
MW393.53 g/mol
LogP7.18
Rot. Bonds7

About 4-[[1-[3-(4-naphthalen-2-ylphenyl)propyl]cyclopropyl]amino]phenol

4-[[1-[3-(4-naphthalen-2-ylphenyl)propyl]cyclopropyl]amino]phenol (PubChem CID 145127977) has the molecular formula C28H27NO and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-[[1-[3-(4-naphthalen-2-ylphenyl)propyl]cyclopropyl]amino]phenol.

Molecular Properties

Compound Name4-[[1-[3-(4-naphthalen-2-ylphenyl)propyl]cyclopropyl]amino]phenol
PubChem CID145127977
Molecular FormulaC28H27NO
Molecular Weight393.53 g/mol
Exact Mass393.21
IUPAC Name4-[[1-[3-(4-naphthalen-2-ylphenyl)propyl]cyclopropyl]amino]phenol
SMILESOc1ccc(NC2(CCCc3ccc(-c4ccc5ccccc5c4)cc3)CC2)cc1
InChIInChI=1S/C28H27NO/c30-27-15-13-26(14-16-27)29-28(18-19-28)17-3-4-21-7-9-23(10-8-21)25-12-11-22-5-1-2-6-24(22)20-25/h1-2,5-16,20,29-30H,3-4,17-19H2
InChIKeyJQCMSFRDFABLST-UHFFFAOYSA-N
XLogP7.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 57.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[3-(4-naphthalen-2-ylphenyl)propyl]cyclopropyl]amino]phenol?
The IUPAC name of 4-[[1-[3-(4-naphthalen-2-ylphenyl)propyl]cyclopropyl]amino]phenol (CID 145127977) is 4-[[1-[3-(4-naphthalen-2-ylphenyl)propyl]cyclopropyl]amino]phenol.
What is the SMILES notation for 4-[[1-[3-(4-naphthalen-2-ylphenyl)propyl]cyclopropyl]amino]phenol?
The canonical SMILES for 4-[[1-[3-(4-naphthalen-2-ylphenyl)propyl]cyclopropyl]amino]phenol is Oc1ccc(NC2(CCCc3ccc(-c4ccc5ccccc5c4)cc3)CC2)cc1.
What is the InChIKey of 4-[[1-[3-(4-naphthalen-2-ylphenyl)propyl]cyclopropyl]amino]phenol?
The InChIKey is JQCMSFRDFABLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO/c30-27-15-13-26(14-16-27)29-28(18-19-28)17-3-4-21-7-9-23(10-8-21)25-12-11-22-5-1-2-6-24(22)20-25/h1-2,5-16,20,29-30H,3-4,17-19H2.
What are the key properties of 4-[[1-[3-(4-naphthalen-2-ylphenyl)propyl]cyclopropyl]amino]phenol?
4-[[1-[3-(4-naphthalen-2-ylphenyl)propyl]cyclopropyl]amino]phenol has a molecular weight of 393.53 g/mol, XLogP of 7.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[3-(4-naphthalen-2-ylphenyl)propyl]cyclopropyl]amino]phenol is sourced from PubChem (CID 145127977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).