3-(4-cyclobutylphenyl)-4-methylaniline

C17H19N — CID 116506514

IUPAC3-(4-cyclobutylphenyl)-4-methylaniline
SMILESCc1ccc(N)cc1-c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H19N/c1-12-5-10-16(18)11-17(12)15-8-6-14(7-9-15)13-3-2-4-13/h5-11,13H,2-4,18H2,1H3
InChIKeyYLTOGMCEGROJPZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.51
Rot. Bonds2

About 3-(4-cyclobutylphenyl)-4-methylaniline

3-(4-cyclobutylphenyl)-4-methylaniline (PubChem CID 116506514) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(4-cyclobutylphenyl)-4-methylaniline.

Molecular Properties

Compound Name3-(4-cyclobutylphenyl)-4-methylaniline
PubChem CID116506514
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name3-(4-cyclobutylphenyl)-4-methylaniline
SMILESCc1ccc(N)cc1-c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H19N/c1-12-5-10-16(18)11-17(12)15-8-6-14(7-9-15)13-3-2-4-13/h5-11,13H,2-4,18H2,1H3
InChIKeyYLTOGMCEGROJPZ-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 3-(4-cyclobutylphenyl)-4-methylaniline?
The IUPAC name of 3-(4-cyclobutylphenyl)-4-methylaniline (CID 116506514) is 3-(4-cyclobutylphenyl)-4-methylaniline.
What is the SMILES notation for 3-(4-cyclobutylphenyl)-4-methylaniline?
The canonical SMILES for 3-(4-cyclobutylphenyl)-4-methylaniline is Cc1ccc(N)cc1-c1ccc(C2CCC2)cc1.
What is the InChIKey of 3-(4-cyclobutylphenyl)-4-methylaniline?
The InChIKey is YLTOGMCEGROJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-12-5-10-16(18)11-17(12)15-8-6-14(7-9-15)13-3-2-4-13/h5-11,13H,2-4,18H2,1H3.
What are the key properties of 3-(4-cyclobutylphenyl)-4-methylaniline?
3-(4-cyclobutylphenyl)-4-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 3-(4-cyclobutylphenyl)-4-methylaniline is sourced from PubChem (CID 116506514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).