2-amino-2-(4-aminophenyl)-N-tert-butylacetamide;hydrochloride

C12H20ClN3O — CID 19028305

IUPAC2-amino-2-(4-aminophenyl)-N-tert-butylacetamide;hydrochloride
SMILESCC(C)(C)NC(=O)C(N)c1ccc(N)cc1.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-12(2,3)15-11(16)10(14)8-4-6-9(13)7-5-8;/h4-7,10H,13-14H2,1-3H3,(H,15,16);1H
InChIKeyKLVVVPWUYWLOPB-UHFFFAOYSA-N
MW257.77 g/mol
LogP1.61
Rot. Bonds2

About 2-amino-2-(4-aminophenyl)-N-tert-butylacetamide;hydrochloride

2-amino-2-(4-aminophenyl)-N-tert-butylacetamide;hydrochloride (PubChem CID 19028305) has the molecular formula C12H20ClN3O and a molecular weight of 257.77 g/mol. Its IUPAC name is 2-amino-2-(4-aminophenyl)-N-tert-butylacetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-aminophenyl)-N-tert-butylacetamide;hydrochloride
PubChem CID19028305
Molecular FormulaC12H20ClN3O
Molecular Weight257.77 g/mol
Exact Mass257.13
IUPAC Name2-amino-2-(4-aminophenyl)-N-tert-butylacetamide;hydrochloride
SMILESCC(C)(C)NC(=O)C(N)c1ccc(N)cc1.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-12(2,3)15-11(16)10(14)8-4-6-9(13)7-5-8;/h4-7,10H,13-14H2,1-3H3,(H,15,16);1H
InChIKeyKLVVVPWUYWLOPB-UHFFFAOYSA-N
XLogP1.61
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
CID 104898367
2-(4-aminophenyl)sulfanyl-N-tert-butylpropanamide
CID 19317772
(2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 104897348
2-amino-2-(4-tert-butylphenyl)-N-methylacetamide
CID 83535922
3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide
CID 106096490
2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide
CID 115597377
(2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide
CID 104898280
1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride
CID 172679747
3-(4-aminophenyl)butyl N-tert-butylcarbamate
CID 175312760
3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
CID 103796335
2-amino-2-(4-hydroxyphenyl)-N-methylacetamide;hydrochloride
CID 23346504
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide
CID 78933085

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-aminophenyl)-N-tert-butylacetamide;hydrochloride?
The IUPAC name of 2-amino-2-(4-aminophenyl)-N-tert-butylacetamide;hydrochloride (CID 19028305) is 2-amino-2-(4-aminophenyl)-N-tert-butylacetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(4-aminophenyl)-N-tert-butylacetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(4-aminophenyl)-N-tert-butylacetamide;hydrochloride is CC(C)(C)NC(=O)C(N)c1ccc(N)cc1.Cl.
What is the InChIKey of 2-amino-2-(4-aminophenyl)-N-tert-butylacetamide;hydrochloride?
The InChIKey is KLVVVPWUYWLOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.ClH/c1-12(2,3)15-11(16)10(14)8-4-6-9(13)7-5-8;/h4-7,10H,13-14H2,1-3H3,(H,15,16);1H.
What are the key properties of 2-amino-2-(4-aminophenyl)-N-tert-butylacetamide;hydrochloride?
2-amino-2-(4-aminophenyl)-N-tert-butylacetamide;hydrochloride has a molecular weight of 257.77 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-aminophenyl)-N-tert-butylacetamide;hydrochloride is sourced from PubChem (CID 19028305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).