5-(2-aminopropan-2-yl)-2-methylaniline

C10H16N2 — CID 84651979

IUPAC5-(2-aminopropan-2-yl)-2-methylaniline
SMILESCc1ccc(C(C)(C)N)cc1N
InChIInChI=1S/C10H16N2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4-6H,11-12H2,1-3H3
InChIKeyMAOSULOPCMOLCW-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.77
Rot. Bonds1

About 5-(2-aminopropan-2-yl)-2-methylaniline

5-(2-aminopropan-2-yl)-2-methylaniline (PubChem CID 84651979) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-2-methylaniline
PubChem CID84651979
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-(2-aminopropan-2-yl)-2-methylaniline
SMILESCc1ccc(C(C)(C)N)cc1N
InChIInChI=1S/C10H16N2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4-6H,11-12H2,1-3H3
InChIKeyMAOSULOPCMOLCW-UHFFFAOYSA-N
XLogP1.77
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.77
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

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CID 13089979
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4-(2-aminopropan-2-yl)-2,6-dimethylphenol
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4-[1-amino-1-(3-amino-4-methylphenyl)-3-cyclopropylpropyl]benzonitrile
CID 144917202
2-methyl-5-trimethylstannylaniline
CID 22173530
2-methyl-5-[3-[4-(2-methylbutan-2-yl)phenoxy]propoxy]aniline
CID 82097183
3-(3-amino-4-methylphenyl)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
CID 176659751
2-methyl-5-methylsulfanylaniline
CID 62911126
5-(4-aminophenyl)-2-methylaniline
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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-2-methylaniline?
The IUPAC name of 5-(2-aminopropan-2-yl)-2-methylaniline (CID 84651979) is 5-(2-aminopropan-2-yl)-2-methylaniline.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-2-methylaniline?
The canonical SMILES for 5-(2-aminopropan-2-yl)-2-methylaniline is Cc1ccc(C(C)(C)N)cc1N.
What is the InChIKey of 5-(2-aminopropan-2-yl)-2-methylaniline?
The InChIKey is MAOSULOPCMOLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4-6H,11-12H2,1-3H3.
What are the key properties of 5-(2-aminopropan-2-yl)-2-methylaniline?
5-(2-aminopropan-2-yl)-2-methylaniline has a molecular weight of 164.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropan-2-yl)-2-methylaniline is sourced from PubChem (CID 84651979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).