2-[amino(propan-2-yl)amino]-4-methylaniline

C10H17N3 — CID 135202562

IUPAC2-[amino(propan-2-yl)amino]-4-methylaniline
SMILESCc1ccc(N)c(N(N)C(C)C)c1
InChIInChI=1S/C10H17N3/c1-7(2)13(12)10-6-8(3)4-5-9(10)11/h4-7H,11-12H2,1-3H3
InChIKeyHALOXUDGAWBIHA-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.67
Rot. Bonds2

About 2-[amino(propan-2-yl)amino]-4-methylaniline

2-[amino(propan-2-yl)amino]-4-methylaniline (PubChem CID 135202562) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-[amino(propan-2-yl)amino]-4-methylaniline.

Molecular Properties

Compound Name2-[amino(propan-2-yl)amino]-4-methylaniline
PubChem CID135202562
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-[amino(propan-2-yl)amino]-4-methylaniline
SMILESCc1ccc(N)c(N(N)C(C)C)c1
InChIInChI=1S/C10H17N3/c1-7(2)13(12)10-6-8(3)4-5-9(10)11/h4-7H,11-12H2,1-3H3
InChIKeyHALOXUDGAWBIHA-UHFFFAOYSA-N
XLogP1.67
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[amino(propan-2-yl)amino]benzene-1,4-diamine
CID 142392764
2-[amino(methyl)amino]-4-methylaniline
CID 130196475
2-[amino(propan-2-yl)amino]-5-(trifluoromethyl)aniline
CID 178058889
1-(4-tert-butyl-2-methylphenyl)-1-propan-2-ylhydrazine
CID 170213915
2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 115126434
N-(2-amino-5-methylphenyl)-N-methylethanesulfinamide
CID 170287818
2-(2-amino-N-ethyl-5-methylanilino)ethanol
CID 57376084
4-methyl-2-[1-(4-methylphenyl)ethyl]aniline
CID 86084630
2-[amino(tert-butyl)amino]-5-methylaniline
CID 134239306
N-(2,5-dimethylphenyl)methanesulfonohydrazide
CID 82284532
ethane;5-methyl-2-propan-2-ylaniline
CID 142850696
1-chloro-1-(2,5-dimethylphenyl)hydrazine
CID 88866189

Frequently Asked Questions

What is the IUPAC name of 2-[amino(propan-2-yl)amino]-4-methylaniline?
The IUPAC name of 2-[amino(propan-2-yl)amino]-4-methylaniline (CID 135202562) is 2-[amino(propan-2-yl)amino]-4-methylaniline.
What is the SMILES notation for 2-[amino(propan-2-yl)amino]-4-methylaniline?
The canonical SMILES for 2-[amino(propan-2-yl)amino]-4-methylaniline is Cc1ccc(N)c(N(N)C(C)C)c1.
What is the InChIKey of 2-[amino(propan-2-yl)amino]-4-methylaniline?
The InChIKey is HALOXUDGAWBIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)13(12)10-6-8(3)4-5-9(10)11/h4-7H,11-12H2,1-3H3.
What are the key properties of 2-[amino(propan-2-yl)amino]-4-methylaniline?
2-[amino(propan-2-yl)amino]-4-methylaniline has a molecular weight of 179.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(propan-2-yl)amino]-4-methylaniline is sourced from PubChem (CID 135202562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).