(3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol

C13H21NO — CID 131625562

IUPAC(3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
SMILESCc1ccc([C@@H](N)C(C)(C)CO)c(C)c1
InChIInChI=1S/C13H21NO/c1-9-5-6-11(10(2)7-9)12(14)13(3,4)8-15/h5-7,12,15H,8,14H2,1-4H3/t12-/m1/s1
InChIKeyYDVHTSQHPYTQOP-GFCCVEGCSA-N
MW207.32 g/mol
LogP2.32
Rot. Bonds3

About (3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol

(3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol (PubChem CID 131625562) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
PubChem CID131625562
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
SMILESCc1ccc([C@@H](N)C(C)(C)CO)c(C)c1
InChIInChI=1S/C13H21NO/c1-9-5-6-11(10(2)7-9)12(14)13(3,4)8-15/h5-7,12,15H,8,14H2,1-4H3/t12-/m1/s1
InChIKeyYDVHTSQHPYTQOP-GFCCVEGCSA-N
XLogP2.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933377
(3R)-3-amino-3-(2-bromo-4-methylphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247088
(3S)-3-amino-2,2-dimethyl-3-(2,4,6-trimethylphenyl)propan-1-ol
CID 131408123
(1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine
CID 28500813
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol
CID 116942340
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,3-diol;hydrochloride
CID 171246317
methyl (3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171244026
1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933361
(1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 28500791
(3R)-3-amino-2,2-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-ol
CID 131473038
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-fluoro-4-methylphenol
CID 131583246

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of (3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol (CID 131625562) is (3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol is Cc1ccc([C@@H](N)C(C)(C)CO)c(C)c1.
What is the InChIKey of (3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol?
The InChIKey is YDVHTSQHPYTQOP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21NO/c1-9-5-6-11(10(2)7-9)12(14)13(3,4)8-15/h5-7,12,15H,8,14H2,1-4H3/t12-/m1/s1.
What are the key properties of (3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol?
(3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 131625562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).