1-N-(4-phenoxyphenyl)cyclobutane-1,3-diamine

C16H18N2O — CID 80559283

IUPAC1-N-(4-phenoxyphenyl)cyclobutane-1,3-diamine
SMILESNC1CC(Nc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C16H18N2O/c17-12-10-14(11-12)18-13-6-8-16(9-7-13)19-15-4-2-1-3-5-15/h1-9,12,14,18H,10-11,17H2
InChIKeySISCBZGOVIJZFK-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.38
Rot. Bonds4

About 1-N-(4-phenoxyphenyl)cyclobutane-1,3-diamine

1-N-(4-phenoxyphenyl)cyclobutane-1,3-diamine (PubChem CID 80559283) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-N-(4-phenoxyphenyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(4-phenoxyphenyl)cyclobutane-1,3-diamine
PubChem CID80559283
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-N-(4-phenoxyphenyl)cyclobutane-1,3-diamine
SMILESNC1CC(Nc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C16H18N2O/c17-12-10-14(11-12)18-13-6-8-16(9-7-13)19-15-4-2-1-3-5-15/h1-9,12,14,18H,10-11,17H2
InChIKeySISCBZGOVIJZFK-UHFFFAOYSA-N
XLogP3.38
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-phenoxyphenyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(4-phenoxyphenyl)cyclobutane-1,3-diamine (CID 80559283) is 1-N-(4-phenoxyphenyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(4-phenoxyphenyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(4-phenoxyphenyl)cyclobutane-1,3-diamine is NC1CC(Nc2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of 1-N-(4-phenoxyphenyl)cyclobutane-1,3-diamine?
The InChIKey is SISCBZGOVIJZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-12-10-14(11-12)18-13-6-8-16(9-7-13)19-15-4-2-1-3-5-15/h1-9,12,14,18H,10-11,17H2.
What are the key properties of 1-N-(4-phenoxyphenyl)cyclobutane-1,3-diamine?
1-N-(4-phenoxyphenyl)cyclobutane-1,3-diamine has a molecular weight of 254.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-phenoxyphenyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80559283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).