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

C13H21N — CID 82281489

IUPAC2-methyl-1-(2,4,5-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(CC(C)(C)N)cc1C
InChIInChI=1S/C13H21N/c1-9-6-11(3)12(7-10(9)2)8-13(4,5)14/h6-7H,8,14H2,1-5H3
InChIKeyNLDCVOBBJMJESK-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.89
Rot. Bonds2

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

2-methyl-1-(2,4,5-trimethylphenyl)propan-2-amine (PubChem CID 82281489) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-methyl-1-(2,4,5-trimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(2,4,5-trimethylphenyl)propan-2-amine
PubChem CID82281489
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-methyl-1-(2,4,5-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(CC(C)(C)N)cc1C
InChIInChI=1S/C13H21N/c1-9-6-11(3)12(7-10(9)2)8-13(4,5)14/h6-7H,8,14H2,1-5H3
InChIKeyNLDCVOBBJMJESK-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol
CID 117398550
1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 22063499
1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 117347561
1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine
CID 98010705
1-[5-(1-fluoroethyl)-2-methylphenyl]-2-methylpropan-2-amine
CID 117299425
2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol
CID 117287292
5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol
CID 117335588
4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol
CID 117320492
6-(2-amino-2-methylpropyl)-2-methoxy-3,4-dimethylphenol
CID 117320493
1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 117404058
2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine
CID 117112050

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,4,5-trimethylphenyl)propan-2-amine?
The IUPAC name of 2-methyl-1-(2,4,5-trimethylphenyl)propan-2-amine (CID 82281489) is 2-methyl-1-(2,4,5-trimethylphenyl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(2,4,5-trimethylphenyl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(2,4,5-trimethylphenyl)propan-2-amine is Cc1cc(C)c(CC(C)(C)N)cc1C.
What is the InChIKey of 2-methyl-1-(2,4,5-trimethylphenyl)propan-2-amine?
The InChIKey is NLDCVOBBJMJESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-9-6-11(3)12(7-10(9)2)8-13(4,5)14/h6-7H,8,14H2,1-5H3.
What are the key properties of 2-methyl-1-(2,4,5-trimethylphenyl)propan-2-amine?
2-methyl-1-(2,4,5-trimethylphenyl)propan-2-amine has a molecular weight of 191.32 g/mol, XLogP of 2.89, 2 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)propan-2-amine is sourced from PubChem (CID 82281489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).