2-(2-methoxy-3-phenylpropyl)aniline

C16H19NO — CID 10060262

IUPAC2-(2-methoxy-3-phenylpropyl)aniline
SMILESCOC(Cc1ccccc1)Cc1ccccc1N
InChIInChI=1S/C16H19NO/c1-18-15(11-13-7-3-2-4-8-13)12-14-9-5-6-10-16(14)17/h2-10,15H,11-12,17H2,1H3
InChIKeyUKKFUJJKQHSTRL-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.07
Rot. Bonds5

About 2-(2-methoxy-3-phenylpropyl)aniline

2-(2-methoxy-3-phenylpropyl)aniline (PubChem CID 10060262) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(2-methoxy-3-phenylpropyl)aniline.

Molecular Properties

Compound Name2-(2-methoxy-3-phenylpropyl)aniline
PubChem CID10060262
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-(2-methoxy-3-phenylpropyl)aniline
SMILESCOC(Cc1ccccc1)Cc1ccccc1N
InChIInChI=1S/C16H19NO/c1-18-15(11-13-7-3-2-4-8-13)12-14-9-5-6-10-16(14)17/h2-10,15H,11-12,17H2,1H3
InChIKeyUKKFUJJKQHSTRL-UHFFFAOYSA-N
XLogP3.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-phenylpropyl)aniline?
The IUPAC name of 2-(2-methoxy-3-phenylpropyl)aniline (CID 10060262) is 2-(2-methoxy-3-phenylpropyl)aniline.
What is the SMILES notation for 2-(2-methoxy-3-phenylpropyl)aniline?
The canonical SMILES for 2-(2-methoxy-3-phenylpropyl)aniline is COC(Cc1ccccc1)Cc1ccccc1N.
What is the InChIKey of 2-(2-methoxy-3-phenylpropyl)aniline?
The InChIKey is UKKFUJJKQHSTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-18-15(11-13-7-3-2-4-8-13)12-14-9-5-6-10-16(14)17/h2-10,15H,11-12,17H2,1H3.
What are the key properties of 2-(2-methoxy-3-phenylpropyl)aniline?
2-(2-methoxy-3-phenylpropyl)aniline has a molecular weight of 241.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-phenylpropyl)aniline is sourced from PubChem (CID 10060262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).