N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide

C14H22N2O — CID 28755472

IUPACN-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1ccc(CCN)cc1
InChIInChI=1S/C14H22N2O/c1-14(2,3)13(17)16(4)12-7-5-11(6-8-12)9-10-15/h5-8H,9-10,15H2,1-4H3
InChIKeyNQOFKSDEIPVLHF-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.20
Rot. Bonds3

About N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide

N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide (PubChem CID 28755472) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide
PubChem CID28755472
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1ccc(CCN)cc1
InChIInChI=1S/C14H22N2O/c1-14(2,3)13(17)16(4)12-7-5-11(6-8-12)9-10-15/h5-8H,9-10,15H2,1-4H3
InChIKeyNQOFKSDEIPVLHF-UHFFFAOYSA-N
XLogP2.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide
CID 28755474
2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide
CID 114328563
N,2,2-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 113094478
N-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide
CID 43275450
4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide
CID 115156946
2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid
CID 146598746
3-amino-N,2,2-trimethyl-N-(4-methylphenyl)propanamide;hydrochloride
CID 119706053
N-[4-(3-aminopropyl)phenyl]-N,3-dimethylbutanamide
CID 28755736
N-[4-(aminomethyl)phenyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 43275967
4-(2-Aminoethyl)-benzoic acid sodium
CID 70590830
methyl-(4-propylphenyl)carbamic acid
CID 115170704
N-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-oxoethyl]phenyl]-N,2,2-trimethylpropanamide
CID 118395867

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide (CID 28755472) is N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C)c1ccc(CCN)cc1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide?
The InChIKey is NQOFKSDEIPVLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,3)13(17)16(4)12-7-5-11(6-8-12)9-10-15/h5-8H,9-10,15H2,1-4H3.
What are the key properties of N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide?
N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 28755472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).