2-methyl-3,4-dipropylaniline

C13H21N — CID 70515438

IUPAC2-methyl-3,4-dipropylaniline
SMILESCCCc1ccc(N)c(C)c1CCC
InChIInChI=1S/C13H21N/c1-4-6-11-8-9-13(14)10(3)12(11)7-5-2/h8-9H,4-7,14H2,1-3H3
InChIKeyVVIDNJYKPPJOJW-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.48
Rot. Bonds4

About 2-methyl-3,4-dipropylaniline

2-methyl-3,4-dipropylaniline (PubChem CID 70515438) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-methyl-3,4-dipropylaniline.

Molecular Properties

Compound Name2-methyl-3,4-dipropylaniline
PubChem CID70515438
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-methyl-3,4-dipropylaniline
SMILESCCCc1ccc(N)c(C)c1CCC
InChIInChI=1S/C13H21N/c1-4-6-11-8-9-13(14)10(3)12(11)7-5-2/h8-9H,4-7,14H2,1-3H3
InChIKeyVVIDNJYKPPJOJW-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.48
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-methyl-3,4-dipropylaniline?
The IUPAC name of 2-methyl-3,4-dipropylaniline (CID 70515438) is 2-methyl-3,4-dipropylaniline.
What is the SMILES notation for 2-methyl-3,4-dipropylaniline?
The canonical SMILES for 2-methyl-3,4-dipropylaniline is CCCc1ccc(N)c(C)c1CCC.
What is the InChIKey of 2-methyl-3,4-dipropylaniline?
The InChIKey is VVIDNJYKPPJOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-6-11-8-9-13(14)10(3)12(11)7-5-2/h8-9H,4-7,14H2,1-3H3.
What are the key properties of 2-methyl-3,4-dipropylaniline?
2-methyl-3,4-dipropylaniline has a molecular weight of 191.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dipropylaniline is sourced from PubChem (CID 70515438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).