N-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline

C20H25N — CID 43687449

IUPACN-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline
SMILESCCCc1ccccc1NC1CC(c2ccccc2C)C1
InChIInChI=1S/C20H25N/c1-3-8-16-10-5-7-12-20(16)21-18-13-17(14-18)19-11-6-4-9-15(19)2/h4-7,9-12,17-18,21H,3,8,13-14H2,1-2H3
InChIKeyNKUYFSQNUFNXDK-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.31
Rot. Bonds5

About N-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline

N-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline (PubChem CID 43687449) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline.

Molecular Properties

Compound NameN-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline
PubChem CID43687449
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline
SMILESCCCc1ccccc1NC1CC(c2ccccc2C)C1
InChIInChI=1S/C20H25N/c1-3-8-16-10-5-7-12-20(16)21-18-13-17(14-18)19-11-6-4-9-15(19)2/h4-7,9-12,17-18,21H,3,8,13-14H2,1-2H3
InChIKeyNKUYFSQNUFNXDK-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline?
The IUPAC name of N-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline (CID 43687449) is N-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline.
What is the SMILES notation for N-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline?
The canonical SMILES for N-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline is CCCc1ccccc1NC1CC(c2ccccc2C)C1.
What is the InChIKey of N-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline?
The InChIKey is NKUYFSQNUFNXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-3-8-16-10-5-7-12-20(16)21-18-13-17(14-18)19-11-6-4-9-15(19)2/h4-7,9-12,17-18,21H,3,8,13-14H2,1-2H3.
What are the key properties of N-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline?
N-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline has a molecular weight of 279.43 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline is sourced from PubChem (CID 43687449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).