2-methyl-6-propan-2-ylaniline;hydrofluoride

C10H16FN — CID 174802119

IUPAC2-methyl-6-propan-2-ylaniline;hydrofluoride
SMILESCc1cccc(C(C)C)c1N.F
InChIInChI=1S/C10H15N.FH/c1-7(2)9-6-4-5-8(3)10(9)11;/h4-7H,11H2,1-3H3;1H
InChIKeyXQDBRLJDNTWBBC-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.85
Rot. Bonds1

About 2-methyl-6-propan-2-ylaniline;hydrofluoride

2-methyl-6-propan-2-ylaniline;hydrofluoride (PubChem CID 174802119) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 2-methyl-6-propan-2-ylaniline;hydrofluoride.

Molecular Properties

Compound Name2-methyl-6-propan-2-ylaniline;hydrofluoride
PubChem CID174802119
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name2-methyl-6-propan-2-ylaniline;hydrofluoride
SMILESCc1cccc(C(C)C)c1N.F
InChIInChI=1S/C10H15N.FH/c1-7(2)9-6-4-5-8(3)10(9)11;/h4-7H,11H2,1-3H3;1H
InChIKeyXQDBRLJDNTWBBC-UHFFFAOYSA-N
XLogP2.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.85
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

2-methyl-6-propan-2-ylaniline
CID 162117439
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
2-[(1S)-1-aminobutyl]-6-methylaniline
CID 131064823
1-(2-amino-3-methylphenyl)-2,2,2-trifluoroethanol
CID 105457010
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;hydrofluoride?
The IUPAC name of 2-methyl-6-propan-2-ylaniline;hydrofluoride (CID 174802119) is 2-methyl-6-propan-2-ylaniline;hydrofluoride.
What is the SMILES notation for 2-methyl-6-propan-2-ylaniline;hydrofluoride?
The canonical SMILES for 2-methyl-6-propan-2-ylaniline;hydrofluoride is Cc1cccc(C(C)C)c1N.F.
What is the InChIKey of 2-methyl-6-propan-2-ylaniline;hydrofluoride?
The InChIKey is XQDBRLJDNTWBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.FH/c1-7(2)9-6-4-5-8(3)10(9)11;/h4-7H,11H2,1-3H3;1H.
What are the key properties of 2-methyl-6-propan-2-ylaniline;hydrofluoride?
2-methyl-6-propan-2-ylaniline;hydrofluoride has a molecular weight of 169.24 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-ylaniline;hydrofluoride is sourced from PubChem (CID 174802119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).