4-methoxy-N-(1-phenylethyl)aniline

C15H17NO — CID 3849761

IUPAC4-methoxy-N-(1-phenylethyl)aniline
SMILESCOc1ccc(NC(C)c2ccccc2)cc1
InChIInChI=1S/C15H17NO/c1-12(13-6-4-3-5-7-13)16-14-8-10-15(17-2)11-9-14/h3-12,16H,1-2H3
InChIKeyQKBUMGWVDNFABU-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.87
Rot. Bonds4

About 4-methoxy-N-(1-phenylethyl)aniline

4-methoxy-N-(1-phenylethyl)aniline (PubChem CID 3849761) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-methoxy-N-(1-phenylethyl)aniline.

Molecular Properties

Compound Name4-methoxy-N-(1-phenylethyl)aniline
PubChem CID3849761
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-methoxy-N-(1-phenylethyl)aniline
SMILESCOc1ccc(NC(C)c2ccccc2)cc1
InChIInChI=1S/C15H17NO/c1-12(13-6-4-3-5-7-13)16-14-8-10-15(17-2)11-9-14/h3-12,16H,1-2H3
InChIKeyQKBUMGWVDNFABU-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-phenylethyl)aniline?
The IUPAC name of 4-methoxy-N-(1-phenylethyl)aniline (CID 3849761) is 4-methoxy-N-(1-phenylethyl)aniline.
What is the SMILES notation for 4-methoxy-N-(1-phenylethyl)aniline?
The canonical SMILES for 4-methoxy-N-(1-phenylethyl)aniline is COc1ccc(NC(C)c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-(1-phenylethyl)aniline?
The InChIKey is QKBUMGWVDNFABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-12(13-6-4-3-5-7-13)16-14-8-10-15(17-2)11-9-14/h3-12,16H,1-2H3.
What are the key properties of 4-methoxy-N-(1-phenylethyl)aniline?
4-methoxy-N-(1-phenylethyl)aniline has a molecular weight of 227.31 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-phenylethyl)aniline is sourced from PubChem (CID 3849761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).