4-(4-methylphenoxy)-N-propan-2-ylaniline

C16H19NO — CID 21043850

IUPAC4-(4-methylphenoxy)-N-propan-2-ylaniline
SMILESCc1ccc(Oc2ccc(NC(C)C)cc2)cc1
InChIInChI=1S/C16H19NO/c1-12(2)17-14-6-10-16(11-7-14)18-15-8-4-13(3)5-9-15/h4-12,17H,1-3H3
InChIKeyMKNRZVUTBTYHLP-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.61
Rot. Bonds4

About 4-(4-methylphenoxy)-N-propan-2-ylaniline

4-(4-methylphenoxy)-N-propan-2-ylaniline (PubChem CID 21043850) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(4-methylphenoxy)-N-propan-2-ylaniline
PubChem CID21043850
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-(4-methylphenoxy)-N-propan-2-ylaniline
SMILESCc1ccc(Oc2ccc(NC(C)C)cc2)cc1
InChIInChI=1S/C16H19NO/c1-12(2)17-14-6-10-16(11-7-14)18-15-8-4-13(3)5-9-15/h4-12,17H,1-3H3
InChIKeyMKNRZVUTBTYHLP-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline
CID 155469533
4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline
CID 101414938
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine
CID 87484866
2-methoxy-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 75835932
N-(1-methoxyethyl)-4-methylaniline
CID 174872064
N-(3-methylbutan-2-yl)-4-phenoxyaniline
CID 43111618
N-propan-2-yl-4-propoxyaniline
CID 21311809
ethane;N-methyl-4-(4-methylphenoxy)aniline;toluene
CID 144508046
4-methyl-N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide
CID 143491833
N-[1-(4-methylphenoxy)ethyl]aniline
CID 154338063
N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;4-methyl-N-propan-2-ylaniline
CID 142404040

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-N-propan-2-ylaniline?
The IUPAC name of 4-(4-methylphenoxy)-N-propan-2-ylaniline (CID 21043850) is 4-(4-methylphenoxy)-N-propan-2-ylaniline.
What is the SMILES notation for 4-(4-methylphenoxy)-N-propan-2-ylaniline?
The canonical SMILES for 4-(4-methylphenoxy)-N-propan-2-ylaniline is Cc1ccc(Oc2ccc(NC(C)C)cc2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-N-propan-2-ylaniline?
The InChIKey is MKNRZVUTBTYHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12(2)17-14-6-10-16(11-7-14)18-15-8-4-13(3)5-9-15/h4-12,17H,1-3H3.
What are the key properties of 4-(4-methylphenoxy)-N-propan-2-ylaniline?
4-(4-methylphenoxy)-N-propan-2-ylaniline has a molecular weight of 241.33 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-N-propan-2-ylaniline is sourced from PubChem (CID 21043850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).