4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine

C17H24N4 — CID 58611253

IUPAC4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
SMILESCc1cc(NCCCNc2ccc(N)c(C)c2)ccc1N
InChIInChI=1S/C17H24N4/c1-12-10-14(4-6-16(12)18)20-8-3-9-21-15-5-7-17(19)13(2)11-15/h4-7,10-11,20-21H,3,8-9,18-19H2,1-2H3
InChIKeyJDSACYOZJRGVPW-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.38
Rot. Bonds6

About 4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine

4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine (PubChem CID 58611253) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
PubChem CID58611253
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
SMILESCc1cc(NCCCNc2ccc(N)c(C)c2)ccc1N
InChIInChI=1S/C17H24N4/c1-12-10-14(4-6-16(12)18)20-8-3-9-21-15-5-7-17(19)13(2)11-15/h4-7,10-11,20-21H,3,8-9,18-19H2,1-2H3
InChIKeyJDSACYOZJRGVPW-UHFFFAOYSA-N
XLogP3.38
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine
CID 163790181
4-N-[2-[2-(4-amino-3-methylanilino)ethylamino]ethyl]-2-methylbenzene-1,4-diamine
CID 69450838
2-methyl-4-N-(4-methylpentyl)benzene-1,4-diamine
CID 63004629
2-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931234
3-(4-amino-3-methylanilino)propyl-methyl-propylazanium;2-methyl-4-N-propylbenzene-1,4-diamine
CID 144516192
bis[3-(4-amino-3-methylanilino)propyl]-methyl-propylazanium;carbanide
CID 157300154
2-[2-(4-amino-3-methylanilino)ethylamino]ethanol
CID 23104585
2-methyl-4-N-(3-methylpentyl)benzene-1,4-diamine
CID 57089963
N'-(3,4-dimethylphenyl)butane-1,4-diamine
CID 94253623
4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine
CID 61380702
2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine
CID 23104838
2-(4-amino-3-methylanilino)ethyl carbamate
CID 83201975

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine (CID 58611253) is 4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine is Cc1cc(NCCCNc2ccc(N)c(C)c2)ccc1N.
What is the InChIKey of 4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine?
The InChIKey is JDSACYOZJRGVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12-10-14(4-6-16(12)18)20-8-3-9-21-15-5-7-17(19)13(2)11-15/h4-7,10-11,20-21H,3,8-9,18-19H2,1-2H3.
What are the key properties of 4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine?
4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 58611253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).