3-ethyl-1-(2-methoxyphenyl)pentan-1-amine

C14H23NO — CID 82919557

IUPAC3-ethyl-1-(2-methoxyphenyl)pentan-1-amine
SMILESCCC(CC)CC(N)c1ccccc1OC
InChIInChI=1S/C14H23NO/c1-4-11(5-2)10-13(15)12-8-6-7-9-14(12)16-3/h6-9,11,13H,4-5,10,15H2,1-3H3
InChIKeyMBAGEIRXKWRDPJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.52
Rot. Bonds6

About 3-ethyl-1-(2-methoxyphenyl)pentan-1-amine

3-ethyl-1-(2-methoxyphenyl)pentan-1-amine (PubChem CID 82919557) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-ethyl-1-(2-methoxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(2-methoxyphenyl)pentan-1-amine
PubChem CID82919557
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-ethyl-1-(2-methoxyphenyl)pentan-1-amine
SMILESCCC(CC)CC(N)c1ccccc1OC
InChIInChI=1S/C14H23NO/c1-4-11(5-2)10-13(15)12-8-6-7-9-14(12)16-3/h6-9,11,13H,4-5,10,15H2,1-3H3
InChIKeyMBAGEIRXKWRDPJ-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
1-[2-(2,6-dimethoxyphenoxy)phenyl]propan-1-amine
CID 115995509
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
N'-ethyl-1-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 43263333
1-(2-ethoxyphenyl)-3-methylpentan-1-amine
CID 115533625
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol
CID 96622527
1-(2-methoxyphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63686924

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methoxyphenyl)pentan-1-amine?
The IUPAC name of 3-ethyl-1-(2-methoxyphenyl)pentan-1-amine (CID 82919557) is 3-ethyl-1-(2-methoxyphenyl)pentan-1-amine.
What is the SMILES notation for 3-ethyl-1-(2-methoxyphenyl)pentan-1-amine?
The canonical SMILES for 3-ethyl-1-(2-methoxyphenyl)pentan-1-amine is CCC(CC)CC(N)c1ccccc1OC.
What is the InChIKey of 3-ethyl-1-(2-methoxyphenyl)pentan-1-amine?
The InChIKey is MBAGEIRXKWRDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-11(5-2)10-13(15)12-8-6-7-9-14(12)16-3/h6-9,11,13H,4-5,10,15H2,1-3H3.
What are the key properties of 3-ethyl-1-(2-methoxyphenyl)pentan-1-amine?
3-ethyl-1-(2-methoxyphenyl)pentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methoxyphenyl)pentan-1-amine is sourced from PubChem (CID 82919557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).