2-(4-ethoxyphenyl)pentan-3-amine

C13H21NO — CID 79308575

IUPAC2-(4-ethoxyphenyl)pentan-3-amine
SMILESCCOc1ccc(C(C)C(N)CC)cc1
InChIInChI=1S/C13H21NO/c1-4-13(14)10(3)11-6-8-12(9-7-11)15-5-2/h6-10,13H,4-5,14H2,1-3H3
InChIKeyOGSQGEVNWBZAMY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.93
Rot. Bonds5

About 2-(4-ethoxyphenyl)pentan-3-amine

2-(4-ethoxyphenyl)pentan-3-amine (PubChem CID 79308575) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)pentan-3-amine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)pentan-3-amine
PubChem CID79308575
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(4-ethoxyphenyl)pentan-3-amine
SMILESCCOc1ccc(C(C)C(N)CC)cc1
InChIInChI=1S/C13H21NO/c1-4-13(14)10(3)11-6-8-12(9-7-11)15-5-2/h6-10,13H,4-5,14H2,1-3H3
InChIKeyOGSQGEVNWBZAMY-UHFFFAOYSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-2-methylbutan-1-amine
CID 12771706
amino-(4-ethoxyphenyl)methanol
CID 116939610
(1S,2R)-1-amino-1-(4-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171266991
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
1-(1-bromo-2-methylbutyl)-4-ethoxybenzene
CID 63436936
2-(4-phenylphenyl)pentan-3-amine
CID 79308070
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848489
[(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride
CID 89251854
(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171200689
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
CID 43197136

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)pentan-3-amine?
The IUPAC name of 2-(4-ethoxyphenyl)pentan-3-amine (CID 79308575) is 2-(4-ethoxyphenyl)pentan-3-amine.
What is the SMILES notation for 2-(4-ethoxyphenyl)pentan-3-amine?
The canonical SMILES for 2-(4-ethoxyphenyl)pentan-3-amine is CCOc1ccc(C(C)C(N)CC)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)pentan-3-amine?
The InChIKey is OGSQGEVNWBZAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-13(14)10(3)11-6-8-12(9-7-11)15-5-2/h6-10,13H,4-5,14H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)pentan-3-amine?
2-(4-ethoxyphenyl)pentan-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)pentan-3-amine is sourced from PubChem (CID 79308575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).