N-[2-[2-(aminomethyl)-4-chlorophenyl]ethyl]-3,3-dimethylbutanamide

C15H23ClN2O — CID 142162671

IUPACN-[2-[2-(aminomethyl)-4-chlorophenyl]ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCc1ccc(Cl)cc1CN
InChIInChI=1S/C15H23ClN2O/c1-15(2,3)9-14(19)18-7-6-11-4-5-13(16)8-12(11)10-17/h4-5,8H,6-7,9-10,17H2,1-3H3,(H,18,19)
InChIKeyACBUWMKQLFDZPJ-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.89
Rot. Bonds5

About N-[2-[2-(aminomethyl)-4-chlorophenyl]ethyl]-3,3-dimethylbutanamide

N-[2-[2-(aminomethyl)-4-chlorophenyl]ethyl]-3,3-dimethylbutanamide (PubChem CID 142162671) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)-4-chlorophenyl]ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)-4-chlorophenyl]ethyl]-3,3-dimethylbutanamide
PubChem CID142162671
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-[2-[2-(aminomethyl)-4-chlorophenyl]ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCc1ccc(Cl)cc1CN
InChIInChI=1S/C15H23ClN2O/c1-15(2,3)9-14(19)18-7-6-11-4-5-13(16)8-12(11)10-17/h4-5,8H,6-7,9-10,17H2,1-3H3,(H,18,19)
InChIKeyACBUWMKQLFDZPJ-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574334
3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide
CID 81484637
N-[2-(5-chloro-2-sulfamoylphenyl)ethyl]acetamide
CID 118162125
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpentanamide
CID 82017216
N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide
CID 16781358
2-[2-(aminomethyl)-4-chlorophenoxy]-N-butylacetamide
CID 54956381
N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 110790393
3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 109033424
N-(2-amino-5-chlorophenyl)-3,3-dimethylbutanamide
CID 16794866
N-[2-(5-chloro-2-fluorophenyl)ethyl]-3-hydroxypropanamide
CID 115139327
2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide
CID 55180596
3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide
CID 129259489

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)-4-chlorophenyl]ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[2-(aminomethyl)-4-chlorophenyl]ethyl]-3,3-dimethylbutanamide (CID 142162671) is N-[2-[2-(aminomethyl)-4-chlorophenyl]ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[2-(aminomethyl)-4-chlorophenyl]ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[2-(aminomethyl)-4-chlorophenyl]ethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCCc1ccc(Cl)cc1CN.
What is the InChIKey of N-[2-[2-(aminomethyl)-4-chlorophenyl]ethyl]-3,3-dimethylbutanamide?
The InChIKey is ACBUWMKQLFDZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-15(2,3)9-14(19)18-7-6-11-4-5-13(16)8-12(11)10-17/h4-5,8H,6-7,9-10,17H2,1-3H3,(H,18,19).
What are the key properties of N-[2-[2-(aminomethyl)-4-chlorophenyl]ethyl]-3,3-dimethylbutanamide?
N-[2-[2-(aminomethyl)-4-chlorophenyl]ethyl]-3,3-dimethylbutanamide has a molecular weight of 282.81 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)-4-chlorophenyl]ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 142162671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).