2-methylaniline;2-methylpropan-1-amine

C11H20N2 — CID 22279170

IUPAC2-methylaniline;2-methylpropan-1-amine
SMILESCC(C)CN.Cc1ccccc1N
InChIInChI=1S/C7H9N.C4H11N/c1-6-4-2-3-5-7(6)8;1-4(2)3-5/h2-5H,8H2,1H3;4H,3,5H2,1-2H3
InChIKeyWWSYORVEOIAKSA-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.18
Rot. Bonds1

About 2-methylaniline;2-methylpropan-1-amine

2-methylaniline;2-methylpropan-1-amine (PubChem CID 22279170) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 2-methylaniline;2-methylpropan-1-amine.

Molecular Properties

Compound Name2-methylaniline;2-methylpropan-1-amine
PubChem CID22279170
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name2-methylaniline;2-methylpropan-1-amine
SMILESCC(C)CN.Cc1ccccc1N
InChIInChI=1S/C7H9N.C4H11N/c1-6-4-2-3-5-7(6)8;1-4(2)3-5/h2-5H,8H2,1H3;4H,3,5H2,1-2H3
InChIKeyWWSYORVEOIAKSA-UHFFFAOYSA-N
XLogP2.18
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.18
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

2-methylaniline;2-methylpropane
CID 91027920
bis(2-methylaniline);propane
CID 158079245
CID 175394275
CID 175394275
CID 67897123
CID 67897123
2-methylaniline;dihydrochloride
CID 23331471
CID 159002136
CID 159002136
tris(2-methylaniline);phosphane
CID 158408493
bis(2-methylpropyl)alumanylium;hydride;2-methylaniline
CID 174831782
ethane;2-methylaniline;propane
CID 144801075
ethane;methanamine;2-methylaniline
CID 91356397
deuteriomethane;2-methylaniline
CID 90744870
N,N-dimethylmethanamine;2-methylaniline
CID 174412120

Frequently Asked Questions

What is the IUPAC name of 2-methylaniline;2-methylpropan-1-amine?
The IUPAC name of 2-methylaniline;2-methylpropan-1-amine (CID 22279170) is 2-methylaniline;2-methylpropan-1-amine.
What is the SMILES notation for 2-methylaniline;2-methylpropan-1-amine?
The canonical SMILES for 2-methylaniline;2-methylpropan-1-amine is CC(C)CN.Cc1ccccc1N.
What is the InChIKey of 2-methylaniline;2-methylpropan-1-amine?
The InChIKey is WWSYORVEOIAKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C4H11N/c1-6-4-2-3-5-7(6)8;1-4(2)3-5/h2-5H,8H2,1H3;4H,3,5H2,1-2H3.
What are the key properties of 2-methylaniline;2-methylpropan-1-amine?
2-methylaniline;2-methylpropan-1-amine has a molecular weight of 180.30 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylaniline;2-methylpropan-1-amine is sourced from PubChem (CID 22279170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).