3-ethoxy-N-propylaniline

C11H17NO — CID 54800867

IUPAC3-ethoxy-N-propylaniline
SMILESCCCNc1cccc(OCC)c1
InChIInChI=1S/C11H17NO/c1-3-8-12-10-6-5-7-11(9-10)13-4-2/h5-7,9,12H,3-4,8H2,1-2H3
InChIKeyADHDYNOPHKFBLL-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.91
Rot. Bonds5

About 3-ethoxy-N-propylaniline

3-ethoxy-N-propylaniline (PubChem CID 54800867) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-ethoxy-N-propylaniline.

Molecular Properties

Compound Name3-ethoxy-N-propylaniline
PubChem CID54800867
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-ethoxy-N-propylaniline
SMILESCCCNc1cccc(OCC)c1
InChIInChI=1S/C11H17NO/c1-3-8-12-10-6-5-7-11(9-10)13-4-2/h5-7,9,12H,3-4,8H2,1-2H3
InChIKeyADHDYNOPHKFBLL-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 54808363
N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808097
N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807112
N'-(3,5-dimethylphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807611
N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54808068
3-ethoxy-N-(2-phenylethyl)aniline
CID 13391245
N'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54805983
N-tert-butyl-3-ethoxyaniline
CID 58745523
N-(3-ethoxyphenyl)hydroxylamine
CID 13347158
N'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54808343
3-ethoxy-N-(2-piperidin-1-ylethyl)aniline
CID 54807153
3-ethoxy-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723469

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-propylaniline?
The IUPAC name of 3-ethoxy-N-propylaniline (CID 54800867) is 3-ethoxy-N-propylaniline.
What is the SMILES notation for 3-ethoxy-N-propylaniline?
The canonical SMILES for 3-ethoxy-N-propylaniline is CCCNc1cccc(OCC)c1.
What is the InChIKey of 3-ethoxy-N-propylaniline?
The InChIKey is ADHDYNOPHKFBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-8-12-10-6-5-7-11(9-10)13-4-2/h5-7,9,12H,3-4,8H2,1-2H3.
What are the key properties of 3-ethoxy-N-propylaniline?
3-ethoxy-N-propylaniline has a molecular weight of 179.26 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-propylaniline is sourced from PubChem (CID 54800867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).