2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide

C20H28N2O3 — CID 158927905

IUPAC2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCN)cc1.COc1ccc(CCNC(C)=O)cc1
InChIInChI=1S/C11H15NO2.C9H13NO/c1-9(13)12-8-7-10-3-5-11(14-2)6-4-10;1-11-9-4-2-8(3-5-9)6-7-10/h3-6H,7-8H2,1-2H3,(H,12,13);2-5H,6-7,10H2,1H3
InChIKeyJIRFDIIWBHEFLX-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.57
Rot. Bonds7

About 2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 158927905) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID158927905
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCN)cc1.COc1ccc(CCNC(C)=O)cc1
InChIInChI=1S/C11H15NO2.C9H13NO/c1-9(13)12-8-7-10-3-5-11(14-2)6-4-10;1-11-9-4-2-8(3-5-9)6-7-10/h3-6H,7-8H2,1-2H3,(H,12,13);2-5H,6-7,10H2,1H3
InChIKeyJIRFDIIWBHEFLX-UHFFFAOYSA-N
XLogP2.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide
CID 113055946
benzyl N-[2-(4-methoxyphenyl)ethyl]carbamate;chloromethylbenzene;2-(4-methoxyphenyl)ethanamine
CID 158225317
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910187
N-[4-(2-aminoethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 28754535
2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 43649353
N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide
CID 110309527
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8867295
1-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide
CID 80587190
[4-(2-acetamidoethyl)phenyl] dihydrogen phosphate
CID 56630055

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 158927905) is 2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCN)cc1.COc1ccc(CCNC(C)=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is JIRFDIIWBHEFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C9H13NO/c1-9(13)12-8-7-10-3-5-11(14-2)6-4-10;1-11-9-4-2-8(3-5-9)6-7-10/h3-6H,7-8H2,1-2H3,(H,12,13);2-5H,6-7,10H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 344.46 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 158927905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).