2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine

C15H25N — CID 104990669

IUPAC2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine
SMILESCc1cc(C)c(C(N)C(C)C(C)C)cc1C
InChIInChI=1S/C15H25N/c1-9(2)13(6)15(16)14-8-11(4)10(3)7-12(14)5/h7-9,13,15H,16H2,1-6H3
InChIKeyVQMKARWACZTLHP-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.90
Rot. Bonds3

About 2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine

2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine (PubChem CID 104990669) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine
PubChem CID104990669
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine
SMILESCc1cc(C)c(C(N)C(C)C(C)C)cc1C
InChIInChI=1S/C15H25N/c1-9(2)13(6)15(16)14-8-11(4)10(3)7-12(14)5/h7-9,13,15H,16H2,1-6H3
InChIKeyVQMKARWACZTLHP-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 64989658
(2,4,5-trimethylphenyl)methanediamine
CID 66789754
2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990610
2-methyl-1-(2,4,5-trimethylphenyl)hexan-1-amine
CID 114246454
1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine
CID 115850536
2-chloro-1-(2,4,5-trimethylphenyl)ethanamine
CID 116937565
1-(1-iodoethyl)-2,4,5-trimethylbenzene
CID 142348913
2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116945487
2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol
CID 116945330
1-(4-fluoro-3,5-dimethylphenyl)-2,3-dimethylbutan-1-amine
CID 65299571
[(1S)-1-(2,4,5-trimethylphenyl)ethyl]hydrazine
CID 96656268
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethylphenyl)propan-2-ol
CID 130730181

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
The IUPAC name of 2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine (CID 104990669) is 2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
The canonical SMILES for 2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine is Cc1cc(C)c(C(N)C(C)C(C)C)cc1C.
What is the InChIKey of 2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
The InChIKey is VQMKARWACZTLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-9(2)13(6)15(16)14-8-11(4)10(3)7-12(14)5/h7-9,13,15H,16H2,1-6H3.
What are the key properties of 2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine is sourced from PubChem (CID 104990669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).