2-methyl-4-N-propylbenzene-1,4-diamine

C10H16N2 — CID 43436189

IUPAC2-methyl-4-N-propylbenzene-1,4-diamine
SMILESCCCNc1ccc(N)c(C)c1
InChIInChI=1S/C10H16N2/c1-3-6-12-9-4-5-10(11)8(2)7-9/h4-5,7,12H,3,6,11H2,1-2H3
InChIKeyCJMCVBWOWZEJIB-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.40
Rot. Bonds3

About 2-methyl-4-N-propylbenzene-1,4-diamine

2-methyl-4-N-propylbenzene-1,4-diamine (PubChem CID 43436189) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-methyl-4-N-propylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-4-N-propylbenzene-1,4-diamine
PubChem CID43436189
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-methyl-4-N-propylbenzene-1,4-diamine
SMILESCCCNc1ccc(N)c(C)c1
InChIInChI=1S/C10H16N2/c1-3-6-12-9-4-5-10(11)8(2)7-9/h4-5,7,12H,3,6,11H2,1-2H3
InChIKeyCJMCVBWOWZEJIB-UHFFFAOYSA-N
XLogP2.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-4-N-propylbenzene-1,4-diamine?
The IUPAC name of 2-methyl-4-N-propylbenzene-1,4-diamine (CID 43436189) is 2-methyl-4-N-propylbenzene-1,4-diamine.
What is the SMILES notation for 2-methyl-4-N-propylbenzene-1,4-diamine?
The canonical SMILES for 2-methyl-4-N-propylbenzene-1,4-diamine is CCCNc1ccc(N)c(C)c1.
What is the InChIKey of 2-methyl-4-N-propylbenzene-1,4-diamine?
The InChIKey is CJMCVBWOWZEJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-6-12-9-4-5-10(11)8(2)7-9/h4-5,7,12H,3,6,11H2,1-2H3.
What are the key properties of 2-methyl-4-N-propylbenzene-1,4-diamine?
2-methyl-4-N-propylbenzene-1,4-diamine has a molecular weight of 164.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-propylbenzene-1,4-diamine is sourced from PubChem (CID 43436189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).