2-methyl-6-propan-2-ylaniline

C20H30N2 — CID 162117439

IUPAC2-methyl-6-propan-2-ylaniline
SMILESCc1cccc(C(C)C)c1N.Cc1cccc(C(C)C)c1N
InChIInChI=1S/2C10H15N/c2*1-7(2)9-6-4-5-8(3)10(9)11/h2*4-7H,11H2,1-3H3
InChIKeyZGYMLMAOIVLZQE-UHFFFAOYSA-N
MW298.47 g/mol
LogP5.40
Rot. Bonds2

About 2-methyl-6-propan-2-ylaniline

2-methyl-6-propan-2-ylaniline (PubChem CID 162117439) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-methyl-6-propan-2-ylaniline.

Molecular Properties

Compound Name2-methyl-6-propan-2-ylaniline
PubChem CID162117439
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name2-methyl-6-propan-2-ylaniline
SMILESCc1cccc(C(C)C)c1N.Cc1cccc(C(C)C)c1N
InChIInChI=1S/2C10H15N/c2*1-7(2)9-6-4-5-8(3)10(9)11/h2*4-7H,11H2,1-3H3
InChIKeyZGYMLMAOIVLZQE-UHFFFAOYSA-N
XLogP5.40
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.40
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-methyl-6-propan-2-ylaniline;hydrofluoride
CID 174802119
2-[bis(methylsulfanyl)methyl]-6-methylaniline
CID 13465650
2-chloro-6-propan-2-ylaniline
CID 18981698
2-amino-2-(2-amino-3-methylphenyl)acetic acid
CID 55282841
1-(2-amino-3-methylphenyl)-2,2,2-trifluoroethanol
CID 105457010
2-[(1S)-1-aminobutyl]-6-methylaniline
CID 131064823
1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine
CID 131190038
1-N-methyl-3-propan-2-ylbenzene-1,2-diamine
CID 66917218
(2-amino-3-methylphenyl)-(4-methylphenyl)methanol
CID 105484724
1-(2-amino-3-methylphenyl)-1-chloropropan-2-one
CID 130785658
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
2-(2-amino-3-methylphenyl)-4-methylpentanoic acid
CID 106987995

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-ylaniline?
The IUPAC name of 2-methyl-6-propan-2-ylaniline (CID 162117439) is 2-methyl-6-propan-2-ylaniline.
What is the SMILES notation for 2-methyl-6-propan-2-ylaniline?
The canonical SMILES for 2-methyl-6-propan-2-ylaniline is Cc1cccc(C(C)C)c1N.Cc1cccc(C(C)C)c1N.
What is the InChIKey of 2-methyl-6-propan-2-ylaniline?
The InChIKey is ZGYMLMAOIVLZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15N/c2*1-7(2)9-6-4-5-8(3)10(9)11/h2*4-7H,11H2,1-3H3.
What are the key properties of 2-methyl-6-propan-2-ylaniline?
2-methyl-6-propan-2-ylaniline has a molecular weight of 298.47 g/mol, XLogP of 5.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-ylaniline is sourced from PubChem (CID 162117439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).