2-methyl-6-(3-propan-2-ylphenyl)aniline

C16H19N — CID 172649943

IUPAC2-methyl-6-(3-propan-2-ylphenyl)aniline
SMILESCc1cccc(-c2cccc(C(C)C)c2)c1N
InChIInChI=1S/C16H19N/c1-11(2)13-7-5-8-14(10-13)15-9-4-6-12(3)16(15)17/h4-11H,17H2,1-3H3
InChIKeyIFNPKKWTPKBWAL-UHFFFAOYSA-N
MW225.33 g/mol
LogP4.37
Rot. Bonds2

About 2-methyl-6-(3-propan-2-ylphenyl)aniline

2-methyl-6-(3-propan-2-ylphenyl)aniline (PubChem CID 172649943) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-methyl-6-(3-propan-2-ylphenyl)aniline.

Molecular Properties

Compound Name2-methyl-6-(3-propan-2-ylphenyl)aniline
PubChem CID172649943
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name2-methyl-6-(3-propan-2-ylphenyl)aniline
SMILESCc1cccc(-c2cccc(C(C)C)c2)c1N
InChIInChI=1S/C16H19N/c1-11(2)13-7-5-8-14(10-13)15-9-4-6-12(3)16(15)17/h4-11H,17H2,1-3H3
InChIKeyIFNPKKWTPKBWAL-UHFFFAOYSA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-(3-propan-2-ylphenyl)aniline
CID 175665580
1-fluoro-2-(3-propan-2-ylphenyl)benzene
CID 20871867
2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene
CID 163504476
4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene
CID 165380290
2-(3-propan-2-ylphenyl)-4-(trifluoromethyl)aniline
CID 175665536
1-(4-fluorophenyl)-5-propan-2-ylazulene
CID 19815703
4-(3-propan-2-ylphenyl)benzene-1,2,3-triol
CID 54086039
2-methyl-6-propan-2-ylaniline
CID 162117439
4-methyl-2-(3-propan-2-ylphenyl)benzonitrile
CID 175665531
N,N-dimethyl-1-[2-(3-propan-2-ylphenyl)phenyl]methanamine;hydrochloride
CID 139942773
ethane;4-(3-propan-2-ylphenyl)-1H-indole
CID 156726959
2-(2-methoxy-4-pyridinyl)-6-methylaniline
CID 165370001

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-propan-2-ylphenyl)aniline?
The IUPAC name of 2-methyl-6-(3-propan-2-ylphenyl)aniline (CID 172649943) is 2-methyl-6-(3-propan-2-ylphenyl)aniline.
What is the SMILES notation for 2-methyl-6-(3-propan-2-ylphenyl)aniline?
The canonical SMILES for 2-methyl-6-(3-propan-2-ylphenyl)aniline is Cc1cccc(-c2cccc(C(C)C)c2)c1N.
What is the InChIKey of 2-methyl-6-(3-propan-2-ylphenyl)aniline?
The InChIKey is IFNPKKWTPKBWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-11(2)13-7-5-8-14(10-13)15-9-4-6-12(3)16(15)17/h4-11H,17H2,1-3H3.
What are the key properties of 2-methyl-6-(3-propan-2-ylphenyl)aniline?
2-methyl-6-(3-propan-2-ylphenyl)aniline has a molecular weight of 225.33 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-propan-2-ylphenyl)aniline is sourced from PubChem (CID 172649943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).