5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine

C16H20N2 — CID 113430182

IUPAC5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine
SMILESCc1cc(N)cc(NCC(C)c2ccccc2)c1
InChIInChI=1S/C16H20N2/c1-12-8-15(17)10-16(9-12)18-11-13(2)14-6-4-3-5-7-14/h3-10,13,18H,11,17H2,1-2H3
InChIKeyAGOQOOUFKGWSLI-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.79
Rot. Bonds4

About 5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine

5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine (PubChem CID 113430182) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine
PubChem CID113430182
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine
SMILESCc1cc(N)cc(NCC(C)c2ccccc2)c1
InChIInChI=1S/C16H20N2/c1-12-8-15(17)10-16(9-12)18-11-13(2)14-6-4-3-5-7-14/h3-10,13,18H,11,17H2,1-2H3
InChIKeyAGOQOOUFKGWSLI-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.79
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

3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 104591278
2,4,6-trimethyl-N-(2-phenylpropyl)aniline
CID 55192336
4-bromo-3-methyl-N-(2-phenylpropyl)aniline
CID 43102221
4-N-(2-phenylpropyl)pyridine-2,4-diamine
CID 104592493
5-methyl-3-N-[(4-propan-2-ylphenyl)methyl]benzene-1,3-diamine
CID 112647602
1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol
CID 112647844
3-bromo-4-iodo-N-(2-phenylpropyl)aniline
CID 114261902
3-bromo-5-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107876485
3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine
CID 115376642
[(2S)-2-phenylpropyl]hydrazine
CID 76971638
4-(3-amino-5-methylanilino)butan-2-ol
CID 112647909
6-bromo-2-N-(2-phenylpropyl)pyrimidine-2,4-diamine
CID 116797337

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine?
The IUPAC name of 5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine (CID 113430182) is 5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine.
What is the SMILES notation for 5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine?
The canonical SMILES for 5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine is Cc1cc(N)cc(NCC(C)c2ccccc2)c1.
What is the InChIKey of 5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine?
The InChIKey is AGOQOOUFKGWSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-8-15(17)10-16(9-12)18-11-13(2)14-6-4-3-5-7-14/h3-10,13,18H,11,17H2,1-2H3.
What are the key properties of 5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine?
5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine is sourced from PubChem (CID 113430182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).