5-amino-2-(2,5-diethylphenyl)octan-4-ol

C18H31NO — CID 83921005

IUPAC5-amino-2-(2,5-diethylphenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1cc(CC)ccc1CC
InChIInChI=1S/C18H31NO/c1-5-8-17(19)18(20)11-13(4)16-12-14(6-2)9-10-15(16)7-3/h9-10,12-13,17-18,20H,5-8,11,19H2,1-4H3
InChIKeyPFHIPYMMIDXJKD-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.79
Rot. Bonds8

About 5-amino-2-(2,5-diethylphenyl)octan-4-ol

5-amino-2-(2,5-diethylphenyl)octan-4-ol (PubChem CID 83921005) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 5-amino-2-(2,5-diethylphenyl)octan-4-ol.

Molecular Properties

Compound Name5-amino-2-(2,5-diethylphenyl)octan-4-ol
PubChem CID83921005
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name5-amino-2-(2,5-diethylphenyl)octan-4-ol
SMILESCCCC(N)C(O)CC(C)c1cc(CC)ccc1CC
InChIInChI=1S/C18H31NO/c1-5-8-17(19)18(20)11-13(4)16-12-14(6-2)9-10-15(16)7-3/h9-10,12-13,17-18,20H,5-8,11,19H2,1-4H3
InChIKeyPFHIPYMMIDXJKD-UHFFFAOYSA-N
XLogP3.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-amino-2-(2,5-diethylphenyl)octan-4-ol 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

1-amino-4-(2,5-diethylphenyl)pentan-2-ol
CID 83921003
5-amino-2-(2,4-dimethylphenyl)octan-4-ol
CID 83928076
2-amino-1-(2,5-diethylphenyl)-4-(dimethylamino)butan-1-ol
CID 83920924
5-amino-2-(2-bromophenyl)octan-4-ol
CID 83924164
5-amino-2-(2-chlorophenyl)octan-4-ol
CID 83924268
1-(2,5-diethylphenyl)decan-1-amine
CID 65448585
ethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
CID 117345048
5-amino-2-(2-chloro-4-methoxyphenyl)octan-4-ol
CID 83942505
5-amino-2-(4,5-diethoxy-2-fluorophenyl)octan-4-ol
CID 83923165
2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene
CID 82987639
5-amino-2-(3-propan-2-ylsulfonylphenyl)octan-4-ol
CID 83927012
5-amino-2-(2,5-dimethyl-4-propoxyphenyl)octan-4-ol
CID 83941032

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,5-diethylphenyl)octan-4-ol?
The IUPAC name of 5-amino-2-(2,5-diethylphenyl)octan-4-ol (CID 83921005) is 5-amino-2-(2,5-diethylphenyl)octan-4-ol.
What is the SMILES notation for 5-amino-2-(2,5-diethylphenyl)octan-4-ol?
The canonical SMILES for 5-amino-2-(2,5-diethylphenyl)octan-4-ol is CCCC(N)C(O)CC(C)c1cc(CC)ccc1CC.
What is the InChIKey of 5-amino-2-(2,5-diethylphenyl)octan-4-ol?
The InChIKey is PFHIPYMMIDXJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-8-17(19)18(20)11-13(4)16-12-14(6-2)9-10-15(16)7-3/h9-10,12-13,17-18,20H,5-8,11,19H2,1-4H3.
What are the key properties of 5-amino-2-(2,5-diethylphenyl)octan-4-ol?
5-amino-2-(2,5-diethylphenyl)octan-4-ol has a molecular weight of 277.45 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,5-diethylphenyl)octan-4-ol is sourced from PubChem (CID 83921005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).