(1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine

C13H21N — CID 28500813

IUPAC(1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine
SMILESCc1ccc([C@@H](N)C(C)(C)C)c(C)c1
InChIInChI=1S/C13H21N/c1-9-6-7-11(10(2)8-9)12(14)13(3,4)5/h6-8,12H,14H2,1-5H3/t12-/m1/s1
InChIKeyHMOXAVDTIROIPG-GFCCVEGCSA-N
MW191.32 g/mol
LogP3.35
Rot. Bonds1

About (1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine

(1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine (PubChem CID 28500813) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine
PubChem CID28500813
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine
SMILESCc1ccc([C@@H](N)C(C)(C)C)c(C)c1
InChIInChI=1S/C13H21N/c1-9-6-7-11(10(2)8-9)12(14)13(3,4)5/h6-8,12H,14H2,1-5H3/t12-/m1/s1
InChIKeyHMOXAVDTIROIPG-GFCCVEGCSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933377
2-(1-amino-2,2-dimethylpropyl)-5-methylphenol
CID 130043389
(3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 131625562
1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 15732089
methyl (3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171244026
1-(2,4-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine
CID 116946807
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
(1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 28500791
(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
CID 131023872
(2,4-dimethylphenyl)-(2-methylphenyl)methanamine
CID 43198494
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of (1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine (CID 28500813) is (1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine is Cc1ccc([C@@H](N)C(C)(C)C)c(C)c1.
What is the InChIKey of (1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is HMOXAVDTIROIPG-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N/c1-9-6-7-11(10(2)8-9)12(14)13(3,4)5/h6-8,12H,14H2,1-5H3/t12-/m1/s1.
What are the key properties of (1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine?
(1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 28500813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).