N-[[3-(1-aminoethyl)phenyl]methyl]-2,2-dimethylpropanamide

C14H22N2O — CID 165439850

IUPACN-[[3-(1-aminoethyl)phenyl]methyl]-2,2-dimethylpropanamide
SMILESCC(N)c1cccc(CNC(=O)C(C)(C)C)c1
InChIInChI=1S/C14H22N2O/c1-10(15)12-7-5-6-11(8-12)9-16-13(17)14(2,3)4/h5-8,10H,9,15H2,1-4H3,(H,16,17)
InChIKeyXZOIOJUUBCHSPY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.37
Rot. Bonds3

About N-[[3-(1-aminoethyl)phenyl]methyl]-2,2-dimethylpropanamide

N-[[3-(1-aminoethyl)phenyl]methyl]-2,2-dimethylpropanamide (PubChem CID 165439850) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[[3-(1-aminoethyl)phenyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[3-(1-aminoethyl)phenyl]methyl]-2,2-dimethylpropanamide
PubChem CID165439850
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[[3-(1-aminoethyl)phenyl]methyl]-2,2-dimethylpropanamide
SMILESCC(N)c1cccc(CNC(=O)C(C)(C)C)c1
InChIInChI=1S/C14H22N2O/c1-10(15)12-7-5-6-11(8-12)9-16-13(17)14(2,3)4/h5-8,10H,9,15H2,1-4H3,(H,16,17)
InChIKeyXZOIOJUUBCHSPY-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(1-aminoethyl)phenyl]methyl]-4-chlorobutanamide
CID 165440683
2-[3-(1-aminoethyl)phenyl]acetic acid
CID 55283105
N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride
CID 119529465
CID 67842343
CID 67842343
[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]carbamic acid
CID 68872391
N-[(3,4-dihydroxyphenyl)methyl]-2,2-dimethylpropanamide
CID 67129617
1-[3-(2-fluoro-2-methylpropyl)phenyl]ethanamine
CID 84666435
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea
CID 58988184
N-benzyl-2,2-dimethylpropanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1R)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-2,2,2-trideuterio-1-phenylethyl]propanamide;2,2-dimethyl-N-(2,2,2-trideuterio-1-phenylethyl)propanamide;ethane;methane
CID 167545694
2-amino-N-[[3-(difluoromethyl)phenyl]methyl]acetamide
CID 175634041
2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide
CID 100630589

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-aminoethyl)phenyl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[3-(1-aminoethyl)phenyl]methyl]-2,2-dimethylpropanamide (CID 165439850) is N-[[3-(1-aminoethyl)phenyl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[3-(1-aminoethyl)phenyl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[3-(1-aminoethyl)phenyl]methyl]-2,2-dimethylpropanamide is CC(N)c1cccc(CNC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[[3-(1-aminoethyl)phenyl]methyl]-2,2-dimethylpropanamide?
The InChIKey is XZOIOJUUBCHSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(15)12-7-5-6-11(8-12)9-16-13(17)14(2,3)4/h5-8,10H,9,15H2,1-4H3,(H,16,17).
What are the key properties of N-[[3-(1-aminoethyl)phenyl]methyl]-2,2-dimethylpropanamide?
N-[[3-(1-aminoethyl)phenyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-aminoethyl)phenyl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 165439850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).