4-methyl-6-(1-phenylpropyl)benzene-1,3-diamine

C16H20N2 — CID 19849896

IUPAC4-methyl-6-(1-phenylpropyl)benzene-1,3-diamine
SMILESCCC(c1ccccc1)c1cc(C)c(N)cc1N
InChIInChI=1S/C16H20N2/c1-3-13(12-7-5-4-6-8-12)14-9-11(2)15(17)10-16(14)18/h4-10,13H,3,17-18H2,1-2H3
InChIKeyBOKIDAZWHBZJKU-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.70
Rot. Bonds3

About 4-methyl-6-(1-phenylpropyl)benzene-1,3-diamine

4-methyl-6-(1-phenylpropyl)benzene-1,3-diamine (PubChem CID 19849896) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-methyl-6-(1-phenylpropyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-6-(1-phenylpropyl)benzene-1,3-diamine
PubChem CID19849896
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-methyl-6-(1-phenylpropyl)benzene-1,3-diamine
SMILESCCC(c1ccccc1)c1cc(C)c(N)cc1N
InChIInChI=1S/C16H20N2/c1-3-13(12-7-5-4-6-8-12)14-9-11(2)15(17)10-16(14)18/h4-10,13H,3,17-18H2,1-2H3
InChIKeyBOKIDAZWHBZJKU-UHFFFAOYSA-N
XLogP3.70
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.70
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

4-(1-phenylpropyl)benzene-1,3-diamine
CID 19849951
4-[(1R)-1-phenylpropyl]aniline
CID 164669947
2-methyl-6-(1-phenylpropyl)phenol
CID 123572881
2-methyl-1-(2-methylphenyl)-4-(1-phenylpropyl)benzene
CID 144613218
1-chloro-2-[(1S)-1-phenylpropyl]benzene
CID 126732807
phenylmethanamine;1-phenylpropylbenzene
CID 19985231
[2-phenyl-1-(2,4,5-trimethylphenyl)butyl]hydrazine
CID 105312925
oxalic acid;1-phenylpropylbenzene
CID 67824543
4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol
CID 71369615
3-(1-phenylpropyl)benzene-1,2-diol
CID 139729676
3-amino-4-methyl-N-(1-phenylpropyl)benzamide
CID 62304004
2-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 142273313

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1-phenylpropyl)benzene-1,3-diamine?
The IUPAC name of 4-methyl-6-(1-phenylpropyl)benzene-1,3-diamine (CID 19849896) is 4-methyl-6-(1-phenylpropyl)benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-6-(1-phenylpropyl)benzene-1,3-diamine?
The canonical SMILES for 4-methyl-6-(1-phenylpropyl)benzene-1,3-diamine is CCC(c1ccccc1)c1cc(C)c(N)cc1N.
What is the InChIKey of 4-methyl-6-(1-phenylpropyl)benzene-1,3-diamine?
The InChIKey is BOKIDAZWHBZJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-13(12-7-5-4-6-8-12)14-9-11(2)15(17)10-16(14)18/h4-10,13H,3,17-18H2,1-2H3.
What are the key properties of 4-methyl-6-(1-phenylpropyl)benzene-1,3-diamine?
4-methyl-6-(1-phenylpropyl)benzene-1,3-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1-phenylpropyl)benzene-1,3-diamine is sourced from PubChem (CID 19849896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).