(2R)-4-(2,4-dimethylphenyl)butan-2-amine

C12H19N — CID 95375920

IUPAC(2R)-4-(2,4-dimethylphenyl)butan-2-amine
SMILESCc1ccc(CC[C@@H](C)N)c(C)c1
InChIInChI=1S/C12H19N/c1-9-4-6-12(10(2)8-9)7-5-11(3)13/h4,6,8,11H,5,7,13H2,1-3H3/t11-/m1/s1
InChIKeyPYYJTOJNWFMTBY-LLVKDONJSA-N
MW177.29 g/mol
LogP2.58
Rot. Bonds3

About (2R)-4-(2,4-dimethylphenyl)butan-2-amine

(2R)-4-(2,4-dimethylphenyl)butan-2-amine (PubChem CID 95375920) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (2R)-4-(2,4-dimethylphenyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-4-(2,4-dimethylphenyl)butan-2-amine
PubChem CID95375920
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(2R)-4-(2,4-dimethylphenyl)butan-2-amine
SMILESCc1ccc(CC[C@@H](C)N)c(C)c1
InChIInChI=1S/C12H19N/c1-9-4-6-12(10(2)8-9)7-5-11(3)13/h4,6,8,11H,5,7,13H2,1-3H3/t11-/m1/s1
InChIKeyPYYJTOJNWFMTBY-LLVKDONJSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-aminobutyl)-3-methylaniline
CID 130001530
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
6-(2,4-dimethylphenyl)-2-methylhexan-3-amine
CID 83927989
1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 115196905
1-(3-chloro-4-methylpentyl)-2,4-dimethylbenzene
CID 64509110
4-(2,4,6-trimethylphenyl)butan-2-amine
CID 62550210
4-(2,3-difluoro-4-methylphenyl)butan-2-amine
CID 107514336
(2R)-1-[(2,4-dimethylphenyl)methoxy]propan-2-amine
CID 96656753
1-(3-chloro-4,4-dimethylpentyl)-2,4-dimethylbenzene
CID 64508226
5-(4-fluoro-2-methylphenyl)pentan-2-amine
CID 114349377
1-N-[(2,4-dimethylphenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317239
(2R)-4-(5-bromo-2-methylphenyl)butan-2-amine
CID 131320571

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2,4-dimethylphenyl)butan-2-amine?
The IUPAC name of (2R)-4-(2,4-dimethylphenyl)butan-2-amine (CID 95375920) is (2R)-4-(2,4-dimethylphenyl)butan-2-amine.
What is the SMILES notation for (2R)-4-(2,4-dimethylphenyl)butan-2-amine?
The canonical SMILES for (2R)-4-(2,4-dimethylphenyl)butan-2-amine is Cc1ccc(CC[C@@H](C)N)c(C)c1.
What is the InChIKey of (2R)-4-(2,4-dimethylphenyl)butan-2-amine?
The InChIKey is PYYJTOJNWFMTBY-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19N/c1-9-4-6-12(10(2)8-9)7-5-11(3)13/h4,6,8,11H,5,7,13H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-4-(2,4-dimethylphenyl)butan-2-amine?
(2R)-4-(2,4-dimethylphenyl)butan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2,4-dimethylphenyl)butan-2-amine is sourced from PubChem (CID 95375920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).