2-(3-cyclobutylphenyl)-5-methylaniline

C17H19N — CID 114605152

IUPAC2-(3-cyclobutylphenyl)-5-methylaniline
SMILESCc1ccc(-c2cccc(C3CCC3)c2)c(N)c1
InChIInChI=1S/C17H19N/c1-12-8-9-16(17(18)10-12)15-7-3-6-14(11-15)13-4-2-5-13/h3,6-11,13H,2,4-5,18H2,1H3
InChIKeyPLEPBRPVAWSFAH-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.51
Rot. Bonds2

About 2-(3-cyclobutylphenyl)-5-methylaniline

2-(3-cyclobutylphenyl)-5-methylaniline (PubChem CID 114605152) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(3-cyclobutylphenyl)-5-methylaniline.

Molecular Properties

Compound Name2-(3-cyclobutylphenyl)-5-methylaniline
PubChem CID114605152
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name2-(3-cyclobutylphenyl)-5-methylaniline
SMILESCc1ccc(-c2cccc(C3CCC3)c2)c(N)c1
InChIInChI=1S/C17H19N/c1-12-8-9-16(17(18)10-12)15-7-3-6-14(11-15)13-4-2-5-13/h3,6-11,13H,2,4-5,18H2,1H3
InChIKeyPLEPBRPVAWSFAH-UHFFFAOYSA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutylphenyl)-5-methylaniline?
The IUPAC name of 2-(3-cyclobutylphenyl)-5-methylaniline (CID 114605152) is 2-(3-cyclobutylphenyl)-5-methylaniline.
What is the SMILES notation for 2-(3-cyclobutylphenyl)-5-methylaniline?
The canonical SMILES for 2-(3-cyclobutylphenyl)-5-methylaniline is Cc1ccc(-c2cccc(C3CCC3)c2)c(N)c1.
What is the InChIKey of 2-(3-cyclobutylphenyl)-5-methylaniline?
The InChIKey is PLEPBRPVAWSFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-12-8-9-16(17(18)10-12)15-7-3-6-14(11-15)13-4-2-5-13/h3,6-11,13H,2,4-5,18H2,1H3.
What are the key properties of 2-(3-cyclobutylphenyl)-5-methylaniline?
2-(3-cyclobutylphenyl)-5-methylaniline has a molecular weight of 237.35 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutylphenyl)-5-methylaniline is sourced from PubChem (CID 114605152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).