3-methyl-2-(4-propylphenoxy)aniline

C16H19NO — CID 115550956

IUPAC3-methyl-2-(4-propylphenoxy)aniline
SMILESCCCc1ccc(Oc2c(C)cccc2N)cc1
InChIInChI=1S/C16H19NO/c1-3-5-13-8-10-14(11-9-13)18-16-12(2)6-4-7-15(16)17/h4,6-11H,3,5,17H2,1-2H3
InChIKeyKNHOQJPNFHINSW-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.32
Rot. Bonds4

About 3-methyl-2-(4-propylphenoxy)aniline

3-methyl-2-(4-propylphenoxy)aniline (PubChem CID 115550956) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-methyl-2-(4-propylphenoxy)aniline.

Molecular Properties

Compound Name3-methyl-2-(4-propylphenoxy)aniline
PubChem CID115550956
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-methyl-2-(4-propylphenoxy)aniline
SMILESCCCc1ccc(Oc2c(C)cccc2N)cc1
InChIInChI=1S/C16H19NO/c1-3-5-13-8-10-14(11-9-13)18-16-12(2)6-4-7-15(16)17/h4,6-11H,3,5,17H2,1-2H3
InChIKeyKNHOQJPNFHINSW-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 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 ≤ 54.32
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

2-(4-butylphenoxy)-3-chloroaniline
CID 115492204
3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline
CID 115550906
[3-(2-amino-6-methylphenoxy)phenyl]methanol
CID 115550948
2-(4-butylphenoxy)-3-methylbenzoic acid
CID 107112600
3-methyl-2-(2-propoxyphenoxy)aniline
CID 115550861
2-[4-(2-tert-butyl-6-methylphenoxy)phenyl]ethanamine
CID 22687337
2-(3-iodophenoxy)-3-methylaniline
CID 115550908
2-(3-fluorophenoxy)-3-methylaniline
CID 115550847
3-bromo-2-[(4-propylphenoxy)methyl]aniline
CID 63459217
2-(4-ethylphenoxy)-3-methylbenzenecarbothioamide
CID 107108780
5-methyl-2-(4-propylphenoxy)pyridin-3-amine
CID 66281105
1-(bromomethyl)-3-fluoro-2-(4-propylphenoxy)benzene
CID 114068020

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-propylphenoxy)aniline?
The IUPAC name of 3-methyl-2-(4-propylphenoxy)aniline (CID 115550956) is 3-methyl-2-(4-propylphenoxy)aniline.
What is the SMILES notation for 3-methyl-2-(4-propylphenoxy)aniline?
The canonical SMILES for 3-methyl-2-(4-propylphenoxy)aniline is CCCc1ccc(Oc2c(C)cccc2N)cc1.
What is the InChIKey of 3-methyl-2-(4-propylphenoxy)aniline?
The InChIKey is KNHOQJPNFHINSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-5-13-8-10-14(11-9-13)18-16-12(2)6-4-7-15(16)17/h4,6-11H,3,5,17H2,1-2H3.
What are the key properties of 3-methyl-2-(4-propylphenoxy)aniline?
3-methyl-2-(4-propylphenoxy)aniline has a molecular weight of 241.33 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-propylphenoxy)aniline is sourced from PubChem (CID 115550956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).