2-methyl-3-N-(4-propylphenyl)benzene-1,3-diamine

C16H20N2 — CID 63077971

IUPAC2-methyl-3-N-(4-propylphenyl)benzene-1,3-diamine
SMILESCCCc1ccc(Nc2cccc(N)c2C)cc1
InChIInChI=1S/C16H20N2/c1-3-5-13-8-10-14(11-9-13)18-16-7-4-6-15(17)12(16)2/h4,6-11,18H,3,5,17H2,1-2H3
InChIKeyBFBGPBJKDDSJNA-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.27
Rot. Bonds4

About 2-methyl-3-N-(4-propylphenyl)benzene-1,3-diamine

2-methyl-3-N-(4-propylphenyl)benzene-1,3-diamine (PubChem CID 63077971) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methyl-3-N-(4-propylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name2-methyl-3-N-(4-propylphenyl)benzene-1,3-diamine
PubChem CID63077971
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-methyl-3-N-(4-propylphenyl)benzene-1,3-diamine
SMILESCCCc1ccc(Nc2cccc(N)c2C)cc1
InChIInChI=1S/C16H20N2/c1-3-5-13-8-10-14(11-9-13)18-16-7-4-6-15(17)12(16)2/h4,6-11,18H,3,5,17H2,1-2H3
InChIKeyBFBGPBJKDDSJNA-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
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

methyl 2-amino-3-(4-propylanilino)benzoate
CID 115544787
2-[4-(3-amino-2-methylanilino)-N-(2-hydroxyethyl)anilino]ethanol
CID 69135951
3-N-(3,4-dichlorophenyl)-2-methylbenzene-1,3-diamine
CID 55147179
2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine
CID 115124445
3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 63077293
3-N-(3-butan-2-yloxyphenyl)-2-methylbenzene-1,3-diamine
CID 63062068
3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 63077124
3-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 63078168
3-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 63076753
4-[2-(3-amino-2-methylanilino)ethyl]phenol
CID 55146611
4-amino-3-(4-propylanilino)benzenesulfonamide
CID 82900056
3-N-(3-fluoro-5-methylphenyl)-2-methylbenzene-1,3-diamine
CID 79048706

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-N-(4-propylphenyl)benzene-1,3-diamine?
The IUPAC name of 2-methyl-3-N-(4-propylphenyl)benzene-1,3-diamine (CID 63077971) is 2-methyl-3-N-(4-propylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 2-methyl-3-N-(4-propylphenyl)benzene-1,3-diamine?
The canonical SMILES for 2-methyl-3-N-(4-propylphenyl)benzene-1,3-diamine is CCCc1ccc(Nc2cccc(N)c2C)cc1.
What is the InChIKey of 2-methyl-3-N-(4-propylphenyl)benzene-1,3-diamine?
The InChIKey is BFBGPBJKDDSJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-5-13-8-10-14(11-9-13)18-16-7-4-6-15(17)12(16)2/h4,6-11,18H,3,5,17H2,1-2H3.
What are the key properties of 2-methyl-3-N-(4-propylphenyl)benzene-1,3-diamine?
2-methyl-3-N-(4-propylphenyl)benzene-1,3-diamine has a molecular weight of 240.35 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-N-(4-propylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 63077971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).