2-(2-methoxy-2-phenylethyl)aniline

C15H17NO — CID 10082459

IUPAC2-(2-methoxy-2-phenylethyl)aniline
SMILESCOC(Cc1ccccc1N)c1ccccc1
InChIInChI=1S/C15H17NO/c1-17-15(12-7-3-2-4-8-12)11-13-9-5-6-10-14(13)16/h2-10,15H,11,16H2,1H3
InChIKeyVXSHMSCQUBFGGW-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.20
Rot. Bonds4

About 2-(2-methoxy-2-phenylethyl)aniline

2-(2-methoxy-2-phenylethyl)aniline (PubChem CID 10082459) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(2-methoxy-2-phenylethyl)aniline.

Molecular Properties

Compound Name2-(2-methoxy-2-phenylethyl)aniline
PubChem CID10082459
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-(2-methoxy-2-phenylethyl)aniline
SMILESCOC(Cc1ccccc1N)c1ccccc1
InChIInChI=1S/C15H17NO/c1-17-15(12-7-3-2-4-8-12)11-13-9-5-6-10-14(13)16/h2-10,15H,11,16H2,1H3
InChIKeyVXSHMSCQUBFGGW-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.20
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-Aminobenzhydrol
CID 270810
2-(Methoxymethyl)aniline
CID 12334306
2-Amino-alpha-methylbenzenemethanol
CID 112058
2'-Methoxy-biphenyl-2-ylamine
CID 818690
2-(((2-Aminophenyl)methoxy)methyl)aniline
CID 12618671
2-(2-Methoxyethyl)aniline
CID 15208917
2-Methoxymethyl-p-phenylenediamine
CID 9793859
(3-Aminophenyl)(phenyl)methanol
CID 292403
4-(Methoxymethyl)aniline
CID 15212002
2-(Methoxymethyl)-3-methyl-aniline
CID 89875897
2-((2-((Dimethylamino)methyl)phenyl)(methoxy)methyl)-5-methylbenzenamine
CID 44408580
2-(1-Ethoxy-1,2,2,3,3,4,4,4-octafluorobutyl)aniline
CID 131851352

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-2-phenylethyl)aniline?
The IUPAC name of 2-(2-methoxy-2-phenylethyl)aniline (CID 10082459) is 2-(2-methoxy-2-phenylethyl)aniline.
What is the SMILES notation for 2-(2-methoxy-2-phenylethyl)aniline?
The canonical SMILES for 2-(2-methoxy-2-phenylethyl)aniline is COC(Cc1ccccc1N)c1ccccc1.
What is the InChIKey of 2-(2-methoxy-2-phenylethyl)aniline?
The InChIKey is VXSHMSCQUBFGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-17-15(12-7-3-2-4-8-12)11-13-9-5-6-10-14(13)16/h2-10,15H,11,16H2,1H3.
What are the key properties of 2-(2-methoxy-2-phenylethyl)aniline?
2-(2-methoxy-2-phenylethyl)aniline has a molecular weight of 227.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-2-phenylethyl)aniline is sourced from PubChem (CID 10082459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).