4-(2,5-diethoxyphenyl)pentan-1-amine

C15H25NO2 — CID 83942835

IUPAC4-(2,5-diethoxyphenyl)pentan-1-amine
SMILESCCOc1ccc(OCC)c(C(C)CCCN)c1
InChIInChI=1S/C15H25NO2/c1-4-17-13-8-9-15(18-5-2)14(11-13)12(3)7-6-10-16/h8-9,11-12H,4-7,10,16H2,1-3H3
InChIKeyGMTRMRJUGIAVFH-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.33
Rot. Bonds8

About 4-(2,5-diethoxyphenyl)pentan-1-amine

4-(2,5-diethoxyphenyl)pentan-1-amine (PubChem CID 83942835) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(2,5-diethoxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name4-(2,5-diethoxyphenyl)pentan-1-amine
PubChem CID83942835
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-(2,5-diethoxyphenyl)pentan-1-amine
SMILESCCOc1ccc(OCC)c(C(C)CCCN)c1
InChIInChI=1S/C15H25NO2/c1-4-17-13-8-9-15(18-5-2)14(11-13)12(3)7-6-10-16/h8-9,11-12H,4-7,10,16H2,1-3H3
InChIKeyGMTRMRJUGIAVFH-UHFFFAOYSA-N
XLogP3.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorobutan-2-yl)-1,4-diethoxybenzene
CID 83942775
3-(2,5-diethoxyphenyl)butane-1-thiol
CID 83942774
6-(2,5-diethoxyphenyl)heptan-3-amine
CID 83942784
4-(2,5-diethoxyphenyl)pentanenitrile
CID 83942836
1,4-diethoxy-2-propan-2-ylbenzene
CID 129196403
(1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol
CID 54307372
(1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 66517495
1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 77131156
4-(5-ethyl-2-methoxyphenyl)pentan-1-amine
CID 112512089
4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine
CID 113441133
(1S)-1-(4-ethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171220228
3-(3-chloro-4-ethoxyphenoxy)propan-1-amine
CID 98783905

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diethoxyphenyl)pentan-1-amine?
The IUPAC name of 4-(2,5-diethoxyphenyl)pentan-1-amine (CID 83942835) is 4-(2,5-diethoxyphenyl)pentan-1-amine.
What is the SMILES notation for 4-(2,5-diethoxyphenyl)pentan-1-amine?
The canonical SMILES for 4-(2,5-diethoxyphenyl)pentan-1-amine is CCOc1ccc(OCC)c(C(C)CCCN)c1.
What is the InChIKey of 4-(2,5-diethoxyphenyl)pentan-1-amine?
The InChIKey is GMTRMRJUGIAVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-17-13-8-9-15(18-5-2)14(11-13)12(3)7-6-10-16/h8-9,11-12H,4-7,10,16H2,1-3H3.
What are the key properties of 4-(2,5-diethoxyphenyl)pentan-1-amine?
4-(2,5-diethoxyphenyl)pentan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diethoxyphenyl)pentan-1-amine is sourced from PubChem (CID 83942835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).