2-[2-(aminomethyl)phenyl]-N-(3-methylbut-2-enyl)acetamide

C14H20N2O — CID 106186730

IUPAC2-[2-(aminomethyl)phenyl]-N-(3-methylbut-2-enyl)acetamide
SMILESCC(C)=CCNC(=O)Cc1ccccc1CN
InChIInChI=1S/C14H20N2O/c1-11(2)7-8-16-14(17)9-12-5-3-4-6-13(12)10-15/h3-7H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyBEAUBVCLFRVTNV-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.77
Rot. Bonds5

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

2-[2-(aminomethyl)phenyl]-N-(3-methylbut-2-enyl)acetamide (PubChem CID 106186730) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(3-methylbut-2-enyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(3-methylbut-2-enyl)acetamide
PubChem CID106186730
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(3-methylbut-2-enyl)acetamide
SMILESCC(C)=CCNC(=O)Cc1ccccc1CN
InChIInChI=1S/C14H20N2O/c1-11(2)7-8-16-14(17)9-12-5-3-4-6-13(12)10-15/h3-7H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyBEAUBVCLFRVTNV-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3-methylbut-2-enylamino)methyl]phenyl]acetic acid
CID 106188818
2-[2-(aminomethyl)phenyl]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 81317526
2-anilino-N-(3-methylbut-2-enyl)acetamide
CID 106186880
3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide
CID 114155639
3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide
CID 81311740
2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106135698
2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide
CID 81321885
2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide
CID 81318083
[2-(aminomethyl)phenyl]methylurea
CID 62949906
2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide
CID 81321967
2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106371582
2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 81322635

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(3-methylbut-2-enyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(3-methylbut-2-enyl)acetamide (CID 106186730) is 2-[2-(aminomethyl)phenyl]-N-(3-methylbut-2-enyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(3-methylbut-2-enyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(3-methylbut-2-enyl)acetamide is CC(C)=CCNC(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(3-methylbut-2-enyl)acetamide?
The InChIKey is BEAUBVCLFRVTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(2)7-8-16-14(17)9-12-5-3-4-6-13(12)10-15/h3-7H,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(3-methylbut-2-enyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(3-methylbut-2-enyl)acetamide has a molecular weight of 232.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(3-methylbut-2-enyl)acetamide is sourced from PubChem (CID 106186730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).