2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide

C14H22N2O2 — CID 81318083

IUPAC2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)Cc1ccccc1CN
InChIInChI=1S/C14H22N2O2/c1-2-18-9-5-8-16-14(17)10-12-6-3-4-7-13(12)11-15/h3-4,6-7H,2,5,8-11,15H2,1H3,(H,16,17)
InChIKeyRZZKJXCRNSDDJD-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.23
Rot. Bonds8

About 2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide

2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide (PubChem CID 81318083) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide
PubChem CID81318083
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)Cc1ccccc1CN
InChIInChI=1S/C14H22N2O2/c1-2-18-9-5-8-16-14(17)10-12-6-3-4-7-13(12)11-15/h3-4,6-7H,2,5,8-11,15H2,1H3,(H,16,17)
InChIKeyRZZKJXCRNSDDJD-UHFFFAOYSA-N
XLogP1.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide
CID 2179209
2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 81322828
3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide
CID 81311740
N-(3-butoxypropyl)-2-(2-hydroxyphenyl)acetamide
CID 115601163
2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide
CID 106011679
2-[2-(aminomethyl)phenyl]-N-(2-but-3-enoxyethyl)acetamide
CID 106398038
1-(3-ethoxypropyl)-3-[(2-fluorophenyl)methyl]urea
CID 108897476
3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride
CID 120609020
2-[2-[(4-ethoxybutanoylamino)methyl]phenyl]acetic acid
CID 81317970
2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide
CID 78760776
N'-benzyl-N-(3-ethoxypropyl)oxamide
CID 21369938
2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide
CID 26776141

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide (CID 81318083) is 2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide?
The InChIKey is RZZKJXCRNSDDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-18-9-5-8-16-14(17)10-12-6-3-4-7-13(12)11-15/h3-4,6-7H,2,5,8-11,15H2,1H3,(H,16,17).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 81318083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).