2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol

C11H16ClNO — CID 131224816

IUPAC2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol
SMILESCC(C)(C)[C@@H](N)c1cc(Cl)ccc1O
InChIInChI=1S/C11H16ClNO/c1-11(2,3)10(13)8-6-7(12)4-5-9(8)14/h4-6,10,14H,13H2,1-3H3/t10-/m0/s1
InChIKeyKOYIQWGDCSGDGA-JTQLQIEISA-N
MW213.71 g/mol
LogP3.09
Rot. Bonds1

About 2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol

2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol (PubChem CID 131224816) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol
PubChem CID131224816
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol
SMILESCC(C)(C)[C@@H](N)c1cc(Cl)ccc1O
InChIInChI=1S/C11H16ClNO/c1-11(2,3)10(13)8-6-7(12)4-5-9(8)14/h4-6,10,14H,13H2,1-3H3/t10-/m0/s1
InChIKeyKOYIQWGDCSGDGA-JTQLQIEISA-N
XLogP3.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130700654
4-amino-2-[(1R)-1-amino-2,2-dimethylpropyl]phenol
CID 130731224
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline
CID 130615780
2-(1-aminoethyl)-4-chlorophenol;hydrochloride
CID 146014077
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782
methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride
CID 171217153
4-chloro-2-[(1R)-1,2-diaminoethyl]phenol
CID 66516717
1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705535
2-[(1S)-1-amino-2,2-dimethylpropyl]-4-(trifluoromethoxy)phenol
CID 171243087
2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde
CID 91013936
2-(1-aminopentyl)-4-chlorophenol
CID 155888158
2-[(1S,2S)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-4-chlorophenol;hydrochloride
CID 171162014

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol?
The IUPAC name of 2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol (CID 131224816) is 2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol.
What is the SMILES notation for 2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol?
The canonical SMILES for 2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol is CC(C)(C)[C@@H](N)c1cc(Cl)ccc1O.
What is the InChIKey of 2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol?
The InChIKey is KOYIQWGDCSGDGA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16ClNO/c1-11(2,3)10(13)8-6-7(12)4-5-9(8)14/h4-6,10,14H,13H2,1-3H3/t10-/m0/s1.
What are the key properties of 2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol?
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol has a molecular weight of 213.71 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol is sourced from PubChem (CID 131224816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).