1-[3-(2-aminoethoxy)phenyl]heptan-3-ol

C15H25NO2 — CID 71016113

IUPAC1-[3-(2-aminoethoxy)phenyl]heptan-3-ol
SMILESCCCCC(O)CCc1cccc(OCCN)c1
InChIInChI=1S/C15H25NO2/c1-2-3-6-14(17)9-8-13-5-4-7-15(12-13)18-11-10-16/h4-5,7,12,14,17H,2-3,6,8-11,16H2,1H3
InChIKeyPOLLBRQATTYXPT-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.51
Rot. Bonds9

About 1-[3-(2-aminoethoxy)phenyl]heptan-3-ol

1-[3-(2-aminoethoxy)phenyl]heptan-3-ol (PubChem CID 71016113) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[3-(2-aminoethoxy)phenyl]heptan-3-ol.

Molecular Properties

Compound Name1-[3-(2-aminoethoxy)phenyl]heptan-3-ol
PubChem CID71016113
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[3-(2-aminoethoxy)phenyl]heptan-3-ol
SMILESCCCCC(O)CCc1cccc(OCCN)c1
InChIInChI=1S/C15H25NO2/c1-2-3-6-14(17)9-8-13-5-4-7-15(12-13)18-11-10-16/h4-5,7,12,14,17H,2-3,6,8-11,16H2,1H3
InChIKeyPOLLBRQATTYXPT-UHFFFAOYSA-N
XLogP2.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(2-aminoethoxy)phenyl]heptan-3-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-(3-ethoxyphenyl)butan-2-ol
CID 112517753
5-(3-heptoxyphenyl)-3-hydroxypentanoic acid
CID 101069764
6-[3-(2-aminoethoxy)phenyl]hex-1-yn-3-ol
CID 87583926
2-(3-octoxyphenyl)ethanol
CID 141227544
2-amino-1-[2-[(3-pentoxyphenyl)methyl]phenyl]ethanol
CID 25139017
1-(3-methylphenyl)nonan-3-ol
CID 105085389
1-[3-(trifluoromethoxy)phenyl]hexan-3-ol
CID 64513226
1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol
CID 43531638
(2R)-4-(3-ethoxyphenyl)butan-2-ol
CID 94920388
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991
4-(3-pentadecylphenoxy)butanamide
CID 22354511
3-amino-1-(3-octoxyphenyl)propan-1-ol
CID 130373075

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethoxy)phenyl]heptan-3-ol?
The IUPAC name of 1-[3-(2-aminoethoxy)phenyl]heptan-3-ol (CID 71016113) is 1-[3-(2-aminoethoxy)phenyl]heptan-3-ol.
What is the SMILES notation for 1-[3-(2-aminoethoxy)phenyl]heptan-3-ol?
The canonical SMILES for 1-[3-(2-aminoethoxy)phenyl]heptan-3-ol is CCCCC(O)CCc1cccc(OCCN)c1.
What is the InChIKey of 1-[3-(2-aminoethoxy)phenyl]heptan-3-ol?
The InChIKey is POLLBRQATTYXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-3-6-14(17)9-8-13-5-4-7-15(12-13)18-11-10-16/h4-5,7,12,14,17H,2-3,6,8-11,16H2,1H3.
What are the key properties of 1-[3-(2-aminoethoxy)phenyl]heptan-3-ol?
1-[3-(2-aminoethoxy)phenyl]heptan-3-ol has a molecular weight of 251.37 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethoxy)phenyl]heptan-3-ol is sourced from PubChem (CID 71016113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).