N-(1-cyclopropylethyl)-3-ethylaniline

C13H19N — CID 43196050

IUPACN-(1-cyclopropylethyl)-3-ethylaniline
SMILESCCc1cccc(NC(C)C2CC2)c1
InChIInChI=1S/C13H19N/c1-3-11-5-4-6-13(9-11)14-10(2)12-7-8-12/h4-6,9-10,12,14H,3,7-8H2,1-2H3
InChIKeyXXCPMXKCMHLRAH-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.46
Rot. Bonds4

About N-(1-cyclopropylethyl)-3-ethylaniline

N-(1-cyclopropylethyl)-3-ethylaniline (PubChem CID 43196050) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-ethylaniline.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-ethylaniline
PubChem CID43196050
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-(1-cyclopropylethyl)-3-ethylaniline
SMILESCCc1cccc(NC(C)C2CC2)c1
InChIInChI=1S/C13H19N/c1-3-11-5-4-6-13(9-11)14-10(2)12-7-8-12/h4-6,9-10,12,14H,3,7-8H2,1-2H3
InChIKeyXXCPMXKCMHLRAH-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopropylethyl)-3-(methylsulfanylmethyl)aniline
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1-(3-ethylanilino)ethanol
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N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline
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N-(1-cyclohexylethyl)-3-methylaniline
CID 43755613
3-[1-(1-ethylpiperidin-4-yl)ethylamino]phenol
CID 43308530
3-ethyl-N-(3-methyl-1-phenylbutyl)aniline
CID 43102819
[3-(1-cyclopropylethylamino)phenyl]urea
CID 43744613
3-chloro-N-(1-cyclohexylethyl)aniline
CID 43762066
3-ethyl-N-propan-2-ylsulfanylaniline
CID 166883017

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-ethylaniline?
The IUPAC name of N-(1-cyclopropylethyl)-3-ethylaniline (CID 43196050) is N-(1-cyclopropylethyl)-3-ethylaniline.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-ethylaniline?
The canonical SMILES for N-(1-cyclopropylethyl)-3-ethylaniline is CCc1cccc(NC(C)C2CC2)c1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-ethylaniline?
The InChIKey is XXCPMXKCMHLRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-11-5-4-6-13(9-11)14-10(2)12-7-8-12/h4-6,9-10,12,14H,3,7-8H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-3-ethylaniline?
N-(1-cyclopropylethyl)-3-ethylaniline has a molecular weight of 189.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-ethylaniline is sourced from PubChem (CID 43196050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).