N-(2-ethylbutyl)-2-methylaniline

C13H21N — CID 29290197

IUPACN-(2-ethylbutyl)-2-methylaniline
SMILESCCC(CC)CNc1ccccc1C
InChIInChI=1S/C13H21N/c1-4-12(5-2)10-14-13-9-7-6-8-11(13)3/h6-9,12,14H,4-5,10H2,1-3H3
InChIKeyWLEFHPMVQXERNF-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.84
Rot. Bonds5

About N-(2-ethylbutyl)-2-methylaniline

N-(2-ethylbutyl)-2-methylaniline (PubChem CID 29290197) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-(2-ethylbutyl)-2-methylaniline.

Molecular Properties

Compound NameN-(2-ethylbutyl)-2-methylaniline
PubChem CID29290197
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-(2-ethylbutyl)-2-methylaniline
SMILESCCC(CC)CNc1ccccc1C
InChIInChI=1S/C13H21N/c1-4-12(5-2)10-14-13-9-7-6-8-11(13)3/h6-9,12,14H,4-5,10H2,1-3H3
InChIKeyWLEFHPMVQXERNF-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-(2-methylphenyl)butane-1,2-diamine
CID 19374458
2-chloro-N-(2-ethylbutyl)aniline
CID 29278221
CID 175798397
CID 175798397
N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 29300715
2-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107875833
N-(2-ethylbutyl)-2-prop-2-enylsulfanylaniline
CID 63448960
1-N,2-N,4-N-tris(2-methylphenyl)butane-1,2,4-triamine
CID 57204842
2-(2-methylanilino)-1-(2,4,6-trimethylphenyl)ethanol
CID 82123675
N-(2-butan-2-ylsulfanylethyl)-2-methylaniline
CID 62577344
N-(2-ethylbutyl)-3-methoxy-2,4-dimethylaniline
CID 43738989
N-(2-ethylbutyl)-2-imidazol-1-ylaniline
CID 43673499
methyl 3-(2-ethylbutylamino)-2-methylbenzoate
CID 43714418

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-2-methylaniline?
The IUPAC name of N-(2-ethylbutyl)-2-methylaniline (CID 29290197) is N-(2-ethylbutyl)-2-methylaniline.
What is the SMILES notation for N-(2-ethylbutyl)-2-methylaniline?
The canonical SMILES for N-(2-ethylbutyl)-2-methylaniline is CCC(CC)CNc1ccccc1C.
What is the InChIKey of N-(2-ethylbutyl)-2-methylaniline?
The InChIKey is WLEFHPMVQXERNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-12(5-2)10-14-13-9-7-6-8-11(13)3/h6-9,12,14H,4-5,10H2,1-3H3.
What are the key properties of N-(2-ethylbutyl)-2-methylaniline?
N-(2-ethylbutyl)-2-methylaniline has a molecular weight of 191.32 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-2-methylaniline is sourced from PubChem (CID 29290197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).