2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine

C14H23N — CID 64989658

IUPAC2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
SMILESCCC(C)C(N)c1cc(C)c(C)cc1C
InChIInChI=1S/C14H23N/c1-6-9(2)14(15)13-8-11(4)10(3)7-12(13)5/h7-9,14H,6,15H2,1-5H3
InChIKeyGWMHZXCVADRQRX-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.66
Rot. Bonds3

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

2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine (PubChem CID 64989658) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
PubChem CID64989658
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
SMILESCCC(C)C(N)c1cc(C)c(C)cc1C
InChIInChI=1S/C14H23N/c1-6-9(2)14(15)13-8-11(4)10(3)7-12(13)5/h7-9,14H,6,15H2,1-5H3
InChIKeyGWMHZXCVADRQRX-UHFFFAOYSA-N
XLogP3.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(2,4,5-trimethylphenyl)hexan-1-amine
CID 114246454
2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116945487
1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine
CID 105017362
(1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine
CID 130804178
2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol
CID 116945330
2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990669
(1R)-1-(3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 131078048
1-(2-bromo-3-methylphenyl)-2-methylbutan-1-amine
CID 107985251
2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116946494
(1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine
CID 130806142
1-(2,4-dibromophenyl)-2-methylbutan-1-amine
CID 107946440
(2,4,5-trimethylphenyl)methanediamine
CID 66789754

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
The IUPAC name of 2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine (CID 64989658) is 2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine.
What is the SMILES notation for 2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
The canonical SMILES for 2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine is CCC(C)C(N)c1cc(C)c(C)cc1C.
What is the InChIKey of 2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
The InChIKey is GWMHZXCVADRQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-6-9(2)14(15)13-8-11(4)10(3)7-12(13)5/h7-9,14H,6,15H2,1-5H3.
What are the key properties of 2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine is sourced from PubChem (CID 64989658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).