2-methyl-3-(2-propan-2-yloxyphenyl)aniline

C16H19NO — CID 107626705

IUPAC2-methyl-3-(2-propan-2-yloxyphenyl)aniline
SMILESCc1c(N)cccc1-c1ccccc1OC(C)C
InChIInChI=1S/C16H19NO/c1-11(2)18-16-10-5-4-7-14(16)13-8-6-9-15(17)12(13)3/h4-11H,17H2,1-3H3
InChIKeyGXEZGQHLNBTWQE-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.03
Rot. Bonds3

About 2-methyl-3-(2-propan-2-yloxyphenyl)aniline

2-methyl-3-(2-propan-2-yloxyphenyl)aniline (PubChem CID 107626705) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-methyl-3-(2-propan-2-yloxyphenyl)aniline.

Molecular Properties

Compound Name2-methyl-3-(2-propan-2-yloxyphenyl)aniline
PubChem CID107626705
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-methyl-3-(2-propan-2-yloxyphenyl)aniline
SMILESCc1c(N)cccc1-c1ccccc1OC(C)C
InChIInChI=1S/C16H19NO/c1-11(2)18-16-10-5-4-7-14(16)13-8-6-9-15(17)12(13)3/h4-11H,17H2,1-3H3
InChIKeyGXEZGQHLNBTWQE-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-2-methylphenyl)-2-methylaniline
CID 15336123
2-propan-2-yloxyaniline;hydrochloride
CID 24779669
3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline
CID 107626878
2-chloro-3-propan-2-yloxyaniline
CID 67383327
5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 80975371
2-methyl-3-phenylaniline
CID 10511683
3-[2-[[2-(3-amino-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylaniline
CID 70601363
3-(3-amino-2-methylphenoxy)-2-methylaniline
CID 18405813
2,5-bis(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 3547520
1-[2-[2-(1-hydroxyethoxy)phenyl]phenoxy]ethanol
CID 69171334
5-(2-methoxyphenyl)-2-propan-2-yloxyaniline
CID 164512499
5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine
CID 68627887

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-propan-2-yloxyphenyl)aniline?
The IUPAC name of 2-methyl-3-(2-propan-2-yloxyphenyl)aniline (CID 107626705) is 2-methyl-3-(2-propan-2-yloxyphenyl)aniline.
What is the SMILES notation for 2-methyl-3-(2-propan-2-yloxyphenyl)aniline?
The canonical SMILES for 2-methyl-3-(2-propan-2-yloxyphenyl)aniline is Cc1c(N)cccc1-c1ccccc1OC(C)C.
What is the InChIKey of 2-methyl-3-(2-propan-2-yloxyphenyl)aniline?
The InChIKey is GXEZGQHLNBTWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11(2)18-16-10-5-4-7-14(16)13-8-6-9-15(17)12(13)3/h4-11H,17H2,1-3H3.
What are the key properties of 2-methyl-3-(2-propan-2-yloxyphenyl)aniline?
2-methyl-3-(2-propan-2-yloxyphenyl)aniline has a molecular weight of 241.33 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-propan-2-yloxyphenyl)aniline is sourced from PubChem (CID 107626705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).