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

C14H23N — CID 80502709

IUPAC3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine
SMILESCc1cc(C)c(C(C)(C)CCN)cc1C
InChIInChI=1S/C14H23N/c1-10-8-12(3)13(9-11(10)2)14(4,5)6-7-15/h8-9H,6-7,15H2,1-5H3
InChIKeyGLPGTYAFGKELKF-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.24
Rot. Bonds3

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

3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine (PubChem CID 80502709) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine
PubChem CID80502709
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine
SMILESCc1cc(C)c(C(C)(C)CCN)cc1C
InChIInChI=1S/C14H23N/c1-10-8-12(3)13(9-11(10)2)14(4,5)6-7-15/h8-9H,6-7,15H2,1-5H3
InChIKeyGLPGTYAFGKELKF-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115195619
N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine
CID 115226401
3-methyl-3-(2,3,4-trimethylphenyl)butan-1-amine
CID 116962225
N-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine
CID 115262574
1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene
CID 21350453
N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115196189
3-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine
CID 79830501
N-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115206175
4-methyl-4-(2,4,5-trimethylphenyl)pentan-2-ol
CID 64990325
N'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197567
3-(4-bromo-2,5-dimethylphenyl)-N,3-dimethylbutan-1-amine
CID 79830227
4-(2,4,5-trimethylphenyl)pentane-1,4-diol
CID 116861582

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine?
The IUPAC name of 3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine (CID 80502709) is 3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine.
What is the SMILES notation for 3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine?
The canonical SMILES for 3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine is Cc1cc(C)c(C(C)(C)CCN)cc1C.
What is the InChIKey of 3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine?
The InChIKey is GLPGTYAFGKELKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-10-8-12(3)13(9-11(10)2)14(4,5)6-7-15/h8-9H,6-7,15H2,1-5H3.
What are the key properties of 3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine?
3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine is sourced from PubChem (CID 80502709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).