2-ethyl-2-(2-methylphenyl)butan-1-amine

C13H21N — CID 60987168

IUPAC2-ethyl-2-(2-methylphenyl)butan-1-amine
SMILESCCC(CC)(CN)c1ccccc1C
InChIInChI=1S/C13H21N/c1-4-13(5-2,10-14)12-9-7-6-8-11(12)3/h6-9H,4-5,10,14H2,1-3H3
InChIKeyWMLKNEULINWHNI-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.01
Rot. Bonds4

About 2-ethyl-2-(2-methylphenyl)butan-1-amine

2-ethyl-2-(2-methylphenyl)butan-1-amine (PubChem CID 60987168) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-ethyl-2-(2-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(2-methylphenyl)butan-1-amine
PubChem CID60987168
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-ethyl-2-(2-methylphenyl)butan-1-amine
SMILESCCC(CC)(CN)c1ccccc1C
InChIInChI=1S/C13H21N/c1-4-13(5-2,10-14)12-9-7-6-8-11(12)3/h6-9H,4-5,10,14H2,1-3H3
InChIKeyWMLKNEULINWHNI-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-N-methyl-2-(2-methylphenyl)butan-1-amine
CID 62594187
2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine
CID 62596589
ethanamine;1,2-xylene
CID 160781195
1-[1-ethoxy-1-(2-methylphenyl)ethyl]-2-methylbenzene
CID 67864270
2,2-difluoro-2-(2-methylphenyl)ethanamine;hydrochloride
CID 122164073
1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene
CID 67863752
2-(aminomethyl)-2-(2-methylphenyl)-4-propylsulfonylbutan-1-ol
CID 106730774
ethoxy-(2-methylphenyl)methanediamine
CID 174810754
3-amino-2-methyl-2-(2-methylphenyl)propan-1-ol
CID 82280721
4-amino-3,3-dimethyl-2-(2-methylphenyl)butan-2-ol
CID 79127709
1-(5-butyldecan-5-yl)-2-methylbenzene
CID 173021095
1-methyl-2-(4-propylnonan-4-yl)benzene
CID 173020959

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methylphenyl)butan-1-amine?
The IUPAC name of 2-ethyl-2-(2-methylphenyl)butan-1-amine (CID 60987168) is 2-ethyl-2-(2-methylphenyl)butan-1-amine.
What is the SMILES notation for 2-ethyl-2-(2-methylphenyl)butan-1-amine?
The canonical SMILES for 2-ethyl-2-(2-methylphenyl)butan-1-amine is CCC(CC)(CN)c1ccccc1C.
What is the InChIKey of 2-ethyl-2-(2-methylphenyl)butan-1-amine?
The InChIKey is WMLKNEULINWHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-13(5-2,10-14)12-9-7-6-8-11(12)3/h6-9H,4-5,10,14H2,1-3H3.
What are the key properties of 2-ethyl-2-(2-methylphenyl)butan-1-amine?
2-ethyl-2-(2-methylphenyl)butan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methylphenyl)butan-1-amine is sourced from PubChem (CID 60987168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).