3-methyl-2-(1-phenylethoxy)aniline

C15H17NO — CID 115550879

IUPAC3-methyl-2-(1-phenylethoxy)aniline
SMILESCc1cccc(N)c1OC(C)c1ccccc1
InChIInChI=1S/C15H17NO/c1-11-7-6-10-14(16)15(11)17-12(2)13-8-4-3-5-9-13/h3-10,12H,16H2,1-2H3
InChIKeyHCDXMKBJWIUYGJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.72
Rot. Bonds3

About 3-methyl-2-(1-phenylethoxy)aniline

3-methyl-2-(1-phenylethoxy)aniline (PubChem CID 115550879) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-methyl-2-(1-phenylethoxy)aniline.

Molecular Properties

Compound Name3-methyl-2-(1-phenylethoxy)aniline
PubChem CID115550879
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-methyl-2-(1-phenylethoxy)aniline
SMILESCc1cccc(N)c1OC(C)c1ccccc1
InChIInChI=1S/C15H17NO/c1-11-7-6-10-14(16)15(11)17-12(2)13-8-4-3-5-9-13/h3-10,12H,16H2,1-2H3
InChIKeyHCDXMKBJWIUYGJ-UHFFFAOYSA-N
XLogP3.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.72
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-methyl-2-(4-methylpentan-2-yloxy)aniline
CID 115550876
2,3-dimethyl-9,10-bis(1-phenylethoxy)anthracene
CID 23450424
2-(1-methoxypropan-2-yloxy)-3-methylaniline
CID 115550968
2-methyl-4-[(1S)-1-phenylethoxy]aniline
CID 51684094
4-chloro-5-fluoro-6-(1-phenylethoxy)benzene-1,3-diamine
CID 103553678
3,4-bis(1-phenylethoxy)cyclobut-3-ene-1,2-dione
CID 18352407
N-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine
CID 115952747
3-methyl-2-(2-methylpropoxy)aniline
CID 70699878
2-chloro-5-methyl-4-(1-phenylethoxy)aniline
CID 115555256
2-(2-methoxyphenoxy)-3-methylaniline
CID 115550846
2-methylaniline;2-methylpropane
CID 91027920
2-(2-bromophenoxy)-3-methylaniline
CID 115550883

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1-phenylethoxy)aniline?
The IUPAC name of 3-methyl-2-(1-phenylethoxy)aniline (CID 115550879) is 3-methyl-2-(1-phenylethoxy)aniline.
What is the SMILES notation for 3-methyl-2-(1-phenylethoxy)aniline?
The canonical SMILES for 3-methyl-2-(1-phenylethoxy)aniline is Cc1cccc(N)c1OC(C)c1ccccc1.
What is the InChIKey of 3-methyl-2-(1-phenylethoxy)aniline?
The InChIKey is HCDXMKBJWIUYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-7-6-10-14(16)15(11)17-12(2)13-8-4-3-5-9-13/h3-10,12H,16H2,1-2H3.
What are the key properties of 3-methyl-2-(1-phenylethoxy)aniline?
3-methyl-2-(1-phenylethoxy)aniline has a molecular weight of 227.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1-phenylethoxy)aniline is sourced from PubChem (CID 115550879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).