3-methyl-4-(3-propan-2-ylphenoxy)aniline

C16H19NO — CID 26190065

IUPAC3-methyl-4-(3-propan-2-ylphenoxy)aniline
SMILESCc1cc(N)ccc1Oc1cccc(C(C)C)c1
InChIInChI=1S/C16H19NO/c1-11(2)13-5-4-6-15(10-13)18-16-8-7-14(17)9-12(16)3/h4-11H,17H2,1-3H3
InChIKeyUHQLCQMKGVULDA-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.49
Rot. Bonds3

About 3-methyl-4-(3-propan-2-ylphenoxy)aniline

3-methyl-4-(3-propan-2-ylphenoxy)aniline (PubChem CID 26190065) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-methyl-4-(3-propan-2-ylphenoxy)aniline.

Molecular Properties

Compound Name3-methyl-4-(3-propan-2-ylphenoxy)aniline
PubChem CID26190065
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-methyl-4-(3-propan-2-ylphenoxy)aniline
SMILESCc1cc(N)ccc1Oc1cccc(C(C)C)c1
InChIInChI=1S/C16H19NO/c1-11(2)13-5-4-6-15(10-13)18-16-8-7-14(17)9-12(16)3/h4-11H,17H2,1-3H3
InChIKeyUHQLCQMKGVULDA-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
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

4-Benzyloxyaniline
CID 22860
4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline
CID 83119
2-(o-Tolyloxy)aniline
CID 19692
Benzenamine, 4-(3-methylphenoxy)-
CID 151352
4-(2-Phenylethoxy)aniline
CID 3026856
3-(Phenoxymethyl)aniline
CID 427435
4-(p-Tolyloxy)aniline
CID 94519
4-[2-(2,5-Dimethoxyphenyl)vinyl]aniline
CID 5377410
4-Methoxynaphthalen-1-amine
CID 11074644
4-(4-Tert-butylphenoxy)aniline
CID 82498
2-(4-Aminophenoxy)isophthalonitrile
CID 2805873
4-(2-Phenylphenoxy)aniline
CID 902705

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-propan-2-ylphenoxy)aniline?
The IUPAC name of 3-methyl-4-(3-propan-2-ylphenoxy)aniline (CID 26190065) is 3-methyl-4-(3-propan-2-ylphenoxy)aniline.
What is the SMILES notation for 3-methyl-4-(3-propan-2-ylphenoxy)aniline?
The canonical SMILES for 3-methyl-4-(3-propan-2-ylphenoxy)aniline is Cc1cc(N)ccc1Oc1cccc(C(C)C)c1.
What is the InChIKey of 3-methyl-4-(3-propan-2-ylphenoxy)aniline?
The InChIKey is UHQLCQMKGVULDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11(2)13-5-4-6-15(10-13)18-16-8-7-14(17)9-12(16)3/h4-11H,17H2,1-3H3.
What are the key properties of 3-methyl-4-(3-propan-2-ylphenoxy)aniline?
3-methyl-4-(3-propan-2-ylphenoxy)aniline has a molecular weight of 241.33 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-propan-2-ylphenoxy)aniline is sourced from PubChem (CID 26190065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).