2-ethyl-N-methyl-6-propan-2-ylaniline

C12H19N — CID 131620902

IUPAC2-ethyl-N-methyl-6-propan-2-ylaniline
SMILESCCc1cccc(C(C)C)c1NC
InChIInChI=1S/C12H19N/c1-5-10-7-6-8-11(9(2)3)12(10)13-4/h6-9,13H,5H2,1-4H3
InChIKeyUSLLLMODKCJBTF-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.41
Rot. Bonds3

About 2-ethyl-N-methyl-6-propan-2-ylaniline

2-ethyl-N-methyl-6-propan-2-ylaniline (PubChem CID 131620902) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-ethyl-N-methyl-6-propan-2-ylaniline.

Molecular Properties

Compound Name2-ethyl-N-methyl-6-propan-2-ylaniline
PubChem CID131620902
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-ethyl-N-methyl-6-propan-2-ylaniline
SMILESCCc1cccc(C(C)C)c1NC
InChIInChI=1S/C12H19N/c1-5-10-7-6-8-11(9(2)3)12(10)13-4/h6-9,13H,5H2,1-4H3
InChIKeyUSLLLMODKCJBTF-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2-fluoro-3-propan-2-ylbenzene
CID 54146426
2-ethyl-6-fluoro-N-methylaniline
CID 22769633
1-(2-ethyl-6-propan-2-ylphenyl)-3-prop-2-ynylurea
CID 3597757
1-(diaminomethylidene)-3-(2-ethyl-6-propan-2-ylphenyl)urea
CID 22769635
N-(2-ethyl-6-propan-2-ylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 595703
1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
N-methyl-N-[2-(methylamino)-3-propan-2-ylphenyl]formamide
CID 167190465
1-cyclohexyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-methylthiourea
CID 87849745
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide
CID 113000636
bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)
CID 159950653
2-ethyl-N,3-dimethyl-6-propan-2-ylaniline;molecular hydrogen
CID 145358889
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-6-propan-2-ylaniline?
The IUPAC name of 2-ethyl-N-methyl-6-propan-2-ylaniline (CID 131620902) is 2-ethyl-N-methyl-6-propan-2-ylaniline.
What is the SMILES notation for 2-ethyl-N-methyl-6-propan-2-ylaniline?
The canonical SMILES for 2-ethyl-N-methyl-6-propan-2-ylaniline is CCc1cccc(C(C)C)c1NC.
What is the InChIKey of 2-ethyl-N-methyl-6-propan-2-ylaniline?
The InChIKey is USLLLMODKCJBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-5-10-7-6-8-11(9(2)3)12(10)13-4/h6-9,13H,5H2,1-4H3.
What are the key properties of 2-ethyl-N-methyl-6-propan-2-ylaniline?
2-ethyl-N-methyl-6-propan-2-ylaniline has a molecular weight of 177.29 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-6-propan-2-ylaniline is sourced from PubChem (CID 131620902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).