4-ethyl-N-(3-phenylcyclobutyl)aniline

C18H21N — CID 43632170

IUPAC4-ethyl-N-(3-phenylcyclobutyl)aniline
SMILESCCc1ccc(NC2CC(c3ccccc3)C2)cc1
InChIInChI=1S/C18H21N/c1-2-14-8-10-17(11-9-14)19-18-12-16(13-18)15-6-4-3-5-7-15/h3-11,16,18-19H,2,12-13H2,1H3
InChIKeyPCBXGKIYXSEJEB-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.61
Rot. Bonds4

About 4-ethyl-N-(3-phenylcyclobutyl)aniline

4-ethyl-N-(3-phenylcyclobutyl)aniline (PubChem CID 43632170) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-ethyl-N-(3-phenylcyclobutyl)aniline.

Molecular Properties

Compound Name4-ethyl-N-(3-phenylcyclobutyl)aniline
PubChem CID43632170
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name4-ethyl-N-(3-phenylcyclobutyl)aniline
SMILESCCc1ccc(NC2CC(c3ccccc3)C2)cc1
InChIInChI=1S/C18H21N/c1-2-14-8-10-17(11-9-14)19-18-12-16(13-18)15-6-4-3-5-7-15/h3-11,16,18-19H,2,12-13H2,1H3
InChIKeyPCBXGKIYXSEJEB-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-phenylcyclobutyl)aniline?
The IUPAC name of 4-ethyl-N-(3-phenylcyclobutyl)aniline (CID 43632170) is 4-ethyl-N-(3-phenylcyclobutyl)aniline.
What is the SMILES notation for 4-ethyl-N-(3-phenylcyclobutyl)aniline?
The canonical SMILES for 4-ethyl-N-(3-phenylcyclobutyl)aniline is CCc1ccc(NC2CC(c3ccccc3)C2)cc1.
What is the InChIKey of 4-ethyl-N-(3-phenylcyclobutyl)aniline?
The InChIKey is PCBXGKIYXSEJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-2-14-8-10-17(11-9-14)19-18-12-16(13-18)15-6-4-3-5-7-15/h3-11,16,18-19H,2,12-13H2,1H3.
What are the key properties of 4-ethyl-N-(3-phenylcyclobutyl)aniline?
4-ethyl-N-(3-phenylcyclobutyl)aniline has a molecular weight of 251.37 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-phenylcyclobutyl)aniline is sourced from PubChem (CID 43632170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).