3-ethyl-N-prop-1-en-2-ylaniline

C11H15N — CID 143032511

IUPAC3-ethyl-N-prop-1-en-2-ylaniline
SMILESC=C(C)Nc1cccc(CC)c1
InChIInChI=1S/C11H15N/c1-4-10-6-5-7-11(8-10)12-9(2)3/h5-8,12H,2,4H2,1,3H3
InChIKeyLEYPJLCCJXVIIQ-UHFFFAOYSA-N
MW161.25 g/mol
LogP3.19
Rot. Bonds3

About 3-ethyl-N-prop-1-en-2-ylaniline

3-ethyl-N-prop-1-en-2-ylaniline (PubChem CID 143032511) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 3-ethyl-N-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name3-ethyl-N-prop-1-en-2-ylaniline
PubChem CID143032511
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name3-ethyl-N-prop-1-en-2-ylaniline
SMILESC=C(C)Nc1cccc(CC)c1
InChIInChI=1S/C11H15N/c1-4-10-6-5-7-11(8-10)12-9(2)3/h5-8,12H,2,4H2,1,3H3
InChIKeyLEYPJLCCJXVIIQ-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-N-[1-(methylideneamino)ethenyl]aniline
CID 143798089
3-(methylsulfonylmethyl)-N-prop-1-en-2-ylaniline
CID 163663288
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
3-(prop-1-en-2-ylamino)phenol
CID 143950523
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
1,1-diethyl-3-(3-ethylphenyl)thiourea
CID 43384839
3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
CID 28942511
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
1-amino-3-(3-ethylphenyl)-1-methylthiourea
CID 86133314
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
2-[(3-ethylphenyl)carbamoyl]benzoic acid;propan-2-one
CID 123349577
N-(3-ethylphenyl)acetamide;N-propylbutan-1-amine
CID 70391748

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-prop-1-en-2-ylaniline?
The IUPAC name of 3-ethyl-N-prop-1-en-2-ylaniline (CID 143032511) is 3-ethyl-N-prop-1-en-2-ylaniline.
What is the SMILES notation for 3-ethyl-N-prop-1-en-2-ylaniline?
The canonical SMILES for 3-ethyl-N-prop-1-en-2-ylaniline is C=C(C)Nc1cccc(CC)c1.
What is the InChIKey of 3-ethyl-N-prop-1-en-2-ylaniline?
The InChIKey is LEYPJLCCJXVIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-4-10-6-5-7-11(8-10)12-9(2)3/h5-8,12H,2,4H2,1,3H3.
What are the key properties of 3-ethyl-N-prop-1-en-2-ylaniline?
3-ethyl-N-prop-1-en-2-ylaniline has a molecular weight of 161.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-prop-1-en-2-ylaniline is sourced from PubChem (CID 143032511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).