ethane;2-methylaniline;propane

C12H23N — CID 144801075

IUPACethane;2-methylaniline;propane
SMILESCC.CCC.Cc1ccccc1N
InChIInChI=1S/C7H9N.C3H8.C2H6/c1-6-4-2-3-5-7(6)8;1-3-2;1-2/h2-5H,8H2,1H3;3H2,1-2H3;1-2H3
InChIKeySNLCHCMUOBLOFZ-UHFFFAOYSA-N
MW181.32 g/mol
LogP4.02
Rot. Bonds

About ethane;2-methylaniline;propane

ethane;2-methylaniline;propane (PubChem CID 144801075) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is ethane;2-methylaniline;propane.

Molecular Properties

Compound Nameethane;2-methylaniline;propane
PubChem CID144801075
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Nameethane;2-methylaniline;propane
SMILESCC.CCC.Cc1ccccc1N
InChIInChI=1S/C7H9N.C3H8.C2H6/c1-6-4-2-3-5-7(6)8;1-3-2;1-2/h2-5H,8H2,1H3;3H2,1-2H3;1-2H3
InChIKeySNLCHCMUOBLOFZ-UHFFFAOYSA-N
XLogP4.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;2-methylaniline;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-methylaniline);propane
CID 158079245
ethane;methanamine;2-methylaniline
CID 91356397
CID 175394275
CID 175394275
CID 67897123
CID 67897123
2-methylaniline;dihydrochloride
CID 23331471
CID 159002136
CID 159002136
tris(2-methylaniline);phosphane
CID 158408493
deuteriomethane;2-methylaniline
CID 90744870
N,N-dimethylmethanamine;2-methylaniline
CID 174412120
2-methylaniline;2-methylpropane
CID 91027920
acetaldehyde;ethane;2-methylaniline
CID 144857558
2,6-dimethylaniline;2-methylaniline
CID 160714609

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylaniline;propane?
The IUPAC name of ethane;2-methylaniline;propane (CID 144801075) is ethane;2-methylaniline;propane.
What is the SMILES notation for ethane;2-methylaniline;propane?
The canonical SMILES for ethane;2-methylaniline;propane is CC.CCC.Cc1ccccc1N.
What is the InChIKey of ethane;2-methylaniline;propane?
The InChIKey is SNLCHCMUOBLOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C3H8.C2H6/c1-6-4-2-3-5-7(6)8;1-3-2;1-2/h2-5H,8H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methylaniline;propane?
ethane;2-methylaniline;propane has a molecular weight of 181.32 g/mol, XLogP of 4.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylaniline;propane is sourced from PubChem (CID 144801075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).