6-(2,5-diethoxyphenyl)heptan-3-amine

C17H29NO2 — CID 83942784

IUPAC6-(2,5-diethoxyphenyl)heptan-3-amine
SMILESCCOc1ccc(OCC)c(C(C)CCC(N)CC)c1
InChIInChI=1S/C17H29NO2/c1-5-14(18)9-8-13(4)16-12-15(19-6-2)10-11-17(16)20-7-3/h10-14H,5-9,18H2,1-4H3
InChIKeyMVQWMYBGIUFLHX-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.11
Rot. Bonds9

About 6-(2,5-diethoxyphenyl)heptan-3-amine

6-(2,5-diethoxyphenyl)heptan-3-amine (PubChem CID 83942784) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 6-(2,5-diethoxyphenyl)heptan-3-amine.

Molecular Properties

Compound Name6-(2,5-diethoxyphenyl)heptan-3-amine
PubChem CID83942784
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name6-(2,5-diethoxyphenyl)heptan-3-amine
SMILESCCOc1ccc(OCC)c(C(C)CCC(N)CC)c1
InChIInChI=1S/C17H29NO2/c1-5-14(18)9-8-13(4)16-12-15(19-6-2)10-11-17(16)20-7-3/h10-14H,5-9,18H2,1-4H3
InChIKeyMVQWMYBGIUFLHX-UHFFFAOYSA-N
XLogP4.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2,5-diethoxyphenyl)heptan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorobutan-2-yl)-1,4-diethoxybenzene
CID 83942775
4-(2,5-diethoxyphenyl)pentan-1-amine
CID 83942835
3-(2,5-diethoxyphenyl)butane-1-thiol
CID 83942774
4-(2,5-diethoxyphenyl)pentanenitrile
CID 83942836
1,4-diethoxy-2-propan-2-ylbenzene
CID 129196403
6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine
CID 83938317
(1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 66517495
1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 77131156
(1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol
CID 54307372
2-(4-chlorobutan-2-yl)-1-ethoxy-4-methylbenzene
CID 83933609
1-(4-ethoxy-3-fluorophenyl)pentan-3-amine
CID 112513194
6-(4-methoxyphenyl)heptan-3-amine
CID 83932078

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-diethoxyphenyl)heptan-3-amine?
The IUPAC name of 6-(2,5-diethoxyphenyl)heptan-3-amine (CID 83942784) is 6-(2,5-diethoxyphenyl)heptan-3-amine.
What is the SMILES notation for 6-(2,5-diethoxyphenyl)heptan-3-amine?
The canonical SMILES for 6-(2,5-diethoxyphenyl)heptan-3-amine is CCOc1ccc(OCC)c(C(C)CCC(N)CC)c1.
What is the InChIKey of 6-(2,5-diethoxyphenyl)heptan-3-amine?
The InChIKey is MVQWMYBGIUFLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-14(18)9-8-13(4)16-12-15(19-6-2)10-11-17(16)20-7-3/h10-14H,5-9,18H2,1-4H3.
What are the key properties of 6-(2,5-diethoxyphenyl)heptan-3-amine?
6-(2,5-diethoxyphenyl)heptan-3-amine has a molecular weight of 279.42 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-diethoxyphenyl)heptan-3-amine is sourced from PubChem (CID 83942784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).