4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol

C11H18N2O — CID 130613633

IUPAC4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol
SMILESCC(C)(C)[C@H](N)c1cc(O)ccc1N
InChIInChI=1S/C11H18N2O/c1-11(2,3)10(13)8-6-7(14)4-5-9(8)12/h4-6,10,14H,12-13H2,1-3H3/t10-/m1/s1
InChIKeyVCRUHPDYFVAWBT-SNVBAGLBSA-N
MW194.28 g/mol
LogP2.02
Rot. Bonds1

About 4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol

4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol (PubChem CID 130613633) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol.

Molecular Properties

Compound Name4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol
PubChem CID130613633
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol
SMILESCC(C)(C)[C@H](N)c1cc(O)ccc1N
InChIInChI=1S/C11H18N2O/c1-11(2,3)10(13)8-6-7(14)4-5-9(8)12/h4-6,10,14H,12-13H2,1-3H3/t10-/m1/s1
InChIKeyVCRUHPDYFVAWBT-SNVBAGLBSA-N
XLogP2.02
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline
CID 130042651
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline
CID 130615780
4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol
CID 130658898
4-amino-3-(1-aminopropyl)phenol
CID 55282942
4-amino-3-(1,2-diaminoethyl)phenol
CID 55283127
4-amino-2-[(1R)-1-amino-2,2-dimethylpropyl]phenol
CID 130731224
2-[(1S)-1-amino-2-methylpropyl]benzene-1,4-diol
CID 55253395
3-amino-3-(2-amino-5-hydroxyphenyl)propanoic acid
CID 55269173
3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride
CID 171245723
4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol
CID 55254730
2-(1-amino-2,2-dimethylpropyl)-5-methylphenol
CID 130043389
2-[(1S)-1-amino-2,2-dimethylpropyl]-5-methoxyphenol;hydrochloride
CID 171239815

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol?
The IUPAC name of 4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol (CID 130613633) is 4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol.
What is the SMILES notation for 4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol?
The canonical SMILES for 4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol is CC(C)(C)[C@H](N)c1cc(O)ccc1N.
What is the InChIKey of 4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol?
The InChIKey is VCRUHPDYFVAWBT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)10(13)8-6-7(14)4-5-9(8)12/h4-6,10,14H,12-13H2,1-3H3/t10-/m1/s1.
What are the key properties of 4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol?
4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol has a molecular weight of 194.28 g/mol, XLogP of 2.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol is sourced from PubChem (CID 130613633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).