3-(4-ethyl-2-methoxyphenyl)propan-1-amine

C12H19NO — CID 83878516

IUPAC3-(4-ethyl-2-methoxyphenyl)propan-1-amine
SMILESCCc1ccc(CCCN)c(OC)c1
InChIInChI=1S/C12H19NO/c1-3-10-6-7-11(5-4-8-13)12(9-10)14-2/h6-7,9H,3-5,8,13H2,1-2H3
InChIKeyXXTBYOFZYNBKCX-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.15
Rot. Bonds5

About 3-(4-ethyl-2-methoxyphenyl)propan-1-amine

3-(4-ethyl-2-methoxyphenyl)propan-1-amine (PubChem CID 83878516) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(4-ethyl-2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-ethyl-2-methoxyphenyl)propan-1-amine
PubChem CID83878516
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(4-ethyl-2-methoxyphenyl)propan-1-amine
SMILESCCc1ccc(CCCN)c(OC)c1
InChIInChI=1S/C12H19NO/c1-3-10-6-7-11(5-4-8-13)12(9-10)14-2/h6-7,9H,3-5,8,13H2,1-2H3
InChIKeyXXTBYOFZYNBKCX-UHFFFAOYSA-N
XLogP2.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
3-(4-ethyl-2-methoxyphenyl)propanoic acid
CID 91883544
3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine
CID 176899183
4-(4-fluoro-2-methoxyphenyl)butan-1-amine
CID 117287200
3-(4-methoxy-3-propylphenyl)propan-1-amine
CID 123256997
2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine
CID 107668910
[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663676
2-(3-aminopropyl)-4-ethyl-N,N-dimethylaniline
CID 115113347
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine
CID 171474993
ethyl 2-(4-ethyl-2-methoxyphenyl)acetate;hexane
CID 139561752
4-(5-ethyl-2-methoxyphenyl)pentan-1-amine
CID 112512089

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(4-ethyl-2-methoxyphenyl)propan-1-amine (CID 83878516) is 3-(4-ethyl-2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-ethyl-2-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(4-ethyl-2-methoxyphenyl)propan-1-amine is CCc1ccc(CCCN)c(OC)c1.
What is the InChIKey of 3-(4-ethyl-2-methoxyphenyl)propan-1-amine?
The InChIKey is XXTBYOFZYNBKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-10-6-7-11(5-4-8-13)12(9-10)14-2/h6-7,9H,3-5,8,13H2,1-2H3.
What are the key properties of 3-(4-ethyl-2-methoxyphenyl)propan-1-amine?
3-(4-ethyl-2-methoxyphenyl)propan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 83878516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).