2-(4-ethoxyphenyl)pentan-1-amine

C13H21NO — CID 112507782

IUPAC2-(4-ethoxyphenyl)pentan-1-amine
SMILESCCCC(CN)c1ccc(OCC)cc1
InChIInChI=1S/C13H21NO/c1-3-5-12(10-14)11-6-8-13(9-7-11)15-4-2/h6-9,12H,3-5,10,14H2,1-2H3
InChIKeyIFFNDCVAEGFYNS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.93
Rot. Bonds6

About 2-(4-ethoxyphenyl)pentan-1-amine

2-(4-ethoxyphenyl)pentan-1-amine (PubChem CID 112507782) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)pentan-1-amine
PubChem CID112507782
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(4-ethoxyphenyl)pentan-1-amine
SMILESCCCC(CN)c1ccc(OCC)cc1
InChIInChI=1S/C13H21NO/c1-3-5-12(10-14)11-6-8-13(9-7-11)15-4-2/h6-9,12H,3-5,10,14H2,1-2H3
InChIKeyIFFNDCVAEGFYNS-UHFFFAOYSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

2-phenylpentan-1-amine
CID 14321247
4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138081
(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171200689
2-(4-ethoxyphenyl)heptane-1,3-diamine
CID 20848171
4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138103
2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol
CID 83932187
4-(4-hexoxyphenyl)heptan-1-amine
CID 83932661
3-(4-ethoxyphenyl)octyl-dimethylsilane
CID 173365321
1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658133
1-(4-ethoxyphenyl)-N,N-diethylbutan-1-amine
CID 23618972
(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237
N'-methyl-2-(4-propoxyphenyl)propane-1,3-diamine
CID 20546440

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)pentan-1-amine?
The IUPAC name of 2-(4-ethoxyphenyl)pentan-1-amine (CID 112507782) is 2-(4-ethoxyphenyl)pentan-1-amine.
What is the SMILES notation for 2-(4-ethoxyphenyl)pentan-1-amine?
The canonical SMILES for 2-(4-ethoxyphenyl)pentan-1-amine is CCCC(CN)c1ccc(OCC)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)pentan-1-amine?
The InChIKey is IFFNDCVAEGFYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-5-12(10-14)11-6-8-13(9-7-11)15-4-2/h6-9,12H,3-5,10,14H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)pentan-1-amine?
2-(4-ethoxyphenyl)pentan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)pentan-1-amine is sourced from PubChem (CID 112507782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).