3-ethyl-N-pentan-2-ylaniline

C13H21N — CID 43102191

IUPAC3-ethyl-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1cccc(CC)c1
InChIInChI=1S/C13H21N/c1-4-7-11(3)14-13-9-6-8-12(5-2)10-13/h6,8-11,14H,4-5,7H2,1-3H3
InChIKeyLEOBDGUIVPPGFG-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.85
Rot. Bonds5

About 3-ethyl-N-pentan-2-ylaniline

3-ethyl-N-pentan-2-ylaniline (PubChem CID 43102191) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-ethyl-N-pentan-2-ylaniline.

Molecular Properties

Compound Name3-ethyl-N-pentan-2-ylaniline
PubChem CID43102191
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-ethyl-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1cccc(CC)c1
InChIInChI=1S/C13H21N/c1-4-7-11(3)14-13-9-6-8-12(5-2)10-13/h6,8-11,14H,4-5,7H2,1-3H3
InChIKeyLEOBDGUIVPPGFG-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloropropyl)-N-pentan-2-ylaniline
CID 107887553
3-(methylsulfinylmethyl)-N-pentan-2-ylaniline
CID 115929376
1-(3-ethylanilino)ethanol
CID 174601913
3-ethyl-N-(3-methylbutan-2-yl)aniline
CID 43196057
3-tert-butyl-N-pentan-2-ylaniline
CID 175117578
2-(3-ethylanilino)-N-pentan-2-ylacetamide
CID 60688098
3-(pentan-2-ylamino)benzaldehyde
CID 107887286
3-ethoxy-N-[(2R)-pentan-2-yl]aniline
CID 93363089
N-hexan-2-yl-3-(methoxymethyl)aniline
CID 43778851
N-(1-cyclopropylethyl)-3-ethylaniline
CID 43196050
2-(3-ethylanilino)-N-(3-methylbutyl)propanamide
CID 43113209
3-ethyl-N-propan-2-ylsulfanylaniline
CID 166883017

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-pentan-2-ylaniline?
The IUPAC name of 3-ethyl-N-pentan-2-ylaniline (CID 43102191) is 3-ethyl-N-pentan-2-ylaniline.
What is the SMILES notation for 3-ethyl-N-pentan-2-ylaniline?
The canonical SMILES for 3-ethyl-N-pentan-2-ylaniline is CCCC(C)Nc1cccc(CC)c1.
What is the InChIKey of 3-ethyl-N-pentan-2-ylaniline?
The InChIKey is LEOBDGUIVPPGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-7-11(3)14-13-9-6-8-12(5-2)10-13/h6,8-11,14H,4-5,7H2,1-3H3.
What are the key properties of 3-ethyl-N-pentan-2-ylaniline?
3-ethyl-N-pentan-2-ylaniline has a molecular weight of 191.32 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-pentan-2-ylaniline is sourced from PubChem (CID 43102191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).