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

C10H16N2 — CID 141261485

IUPAC4-N-methyl-2-propylbenzene-1,4-diamine
SMILESCCCc1cc(NC)ccc1N
InChIInChI=1S/C10H16N2/c1-3-4-8-7-9(12-2)5-6-10(8)11/h5-7,12H,3-4,11H2,1-2H3
InChIKeyUUKXWDVQSUSFAC-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.26
Rot. Bonds3

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

4-N-methyl-2-propylbenzene-1,4-diamine (PubChem CID 141261485) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-N-methyl-2-propylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-propylbenzene-1,4-diamine
PubChem CID141261485
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-N-methyl-2-propylbenzene-1,4-diamine
SMILESCCCc1cc(NC)ccc1N
InChIInChI=1S/C10H16N2/c1-3-4-8-7-9(12-2)5-6-10(8)11/h5-7,12H,3-4,11H2,1-2H3
InChIKeyUUKXWDVQSUSFAC-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-propylanilino)ethanol
CID 57033695
2-(4-amino-3-propylanilino)acetamide
CID 57173900
2-[2-amino-5-(methylamino)phenyl]acetonitrile
CID 102623706
4-N-(2-ethoxyethyl)-2-propylbenzene-1,4-diamine
CID 57203096
2-[2-amino-5-(ethylamino)phenyl]ethanol
CID 70494826
4-chloro-2-propylaniline
CID 23348961
4-fluoro-2-propylaniline
CID 23348947
N-[1-(4-amino-3-propylanilino)ethyl]methanesulfonamide
CID 57005789
4-N,2-diethylbenzene-1,4-diamine
CID 69192870
4-(4-aminophenyl)-2-propylaniline
CID 67866626
4-N-(oxolan-2-ylmethyl)-2-propylbenzene-1,4-diamine
CID 57243340
2-[(2-amino-5-propylphenyl)methyl]-4-propylaniline
CID 139888848

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-propylbenzene-1,4-diamine?
The IUPAC name of 4-N-methyl-2-propylbenzene-1,4-diamine (CID 141261485) is 4-N-methyl-2-propylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-2-propylbenzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-2-propylbenzene-1,4-diamine is CCCc1cc(NC)ccc1N.
What is the InChIKey of 4-N-methyl-2-propylbenzene-1,4-diamine?
The InChIKey is UUKXWDVQSUSFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-4-8-7-9(12-2)5-6-10(8)11/h5-7,12H,3-4,11H2,1-2H3.
What are the key properties of 4-N-methyl-2-propylbenzene-1,4-diamine?
4-N-methyl-2-propylbenzene-1,4-diamine has a molecular weight of 164.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-propylbenzene-1,4-diamine is sourced from PubChem (CID 141261485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).