3-ethoxy-N-(2-phenylethyl)aniline

C16H19NO — CID 13391245

IUPAC3-ethoxy-N-(2-phenylethyl)aniline
SMILESCCOc1cccc(NCCc2ccccc2)c1
InChIInChI=1S/C16H19NO/c1-2-18-16-10-6-9-15(13-16)17-12-11-14-7-4-3-5-8-14/h3-10,13,17H,2,11-12H2,1H3
InChIKeyBVEOPZDRFRDUGN-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.74
Rot. Bonds6

About 3-ethoxy-N-(2-phenylethyl)aniline

3-ethoxy-N-(2-phenylethyl)aniline (PubChem CID 13391245) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-ethoxy-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name3-ethoxy-N-(2-phenylethyl)aniline
PubChem CID13391245
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-ethoxy-N-(2-phenylethyl)aniline
SMILESCCOc1cccc(NCCc2ccccc2)c1
InChIInChI=1S/C16H19NO/c1-2-18-16-10-6-9-15(13-16)17-12-11-14-7-4-3-5-8-14/h3-10,13,17H,2,11-12H2,1H3
InChIKeyBVEOPZDRFRDUGN-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-propylaniline
CID 54800867
3-(3-methylbutoxy)-N-(2-phenylethyl)aniline
CID 54800482
N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline
CID 54801882
N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 54808363
2-[3-(2-phenylethylamino)phenoxy]acetamide
CID 43720190
3,4-diethoxy-N-(2-phenylethyl)aniline
CID 29291848
3-(difluoromethoxy)-N-(2-phenylethyl)aniline
CID 43698801
N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808097
3-hexoxy-N-(3-phenylpropyl)aniline
CID 54800266
N'-(3-hexoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
CID 54807388
N-[3-(3-ethoxyphenoxy)propyl]aniline
CID 62584936
N'-(3,5-dimethylphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807611

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-phenylethyl)aniline?
The IUPAC name of 3-ethoxy-N-(2-phenylethyl)aniline (CID 13391245) is 3-ethoxy-N-(2-phenylethyl)aniline.
What is the SMILES notation for 3-ethoxy-N-(2-phenylethyl)aniline?
The canonical SMILES for 3-ethoxy-N-(2-phenylethyl)aniline is CCOc1cccc(NCCc2ccccc2)c1.
What is the InChIKey of 3-ethoxy-N-(2-phenylethyl)aniline?
The InChIKey is BVEOPZDRFRDUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-18-16-10-6-9-15(13-16)17-12-11-14-7-4-3-5-8-14/h3-10,13,17H,2,11-12H2,1H3.
What are the key properties of 3-ethoxy-N-(2-phenylethyl)aniline?
3-ethoxy-N-(2-phenylethyl)aniline has a molecular weight of 241.33 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-phenylethyl)aniline is sourced from PubChem (CID 13391245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).