1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol

C13H21NO2 — CID 112508033

IUPAC1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol
SMILESCc1cc(C)cc(OCCC(O)CCN)c1
InChIInChI=1S/C13H21NO2/c1-10-7-11(2)9-13(8-10)16-6-4-12(15)3-5-14/h7-9,12,15H,3-6,14H2,1-2H3
InChIKeyQRKOMKPOONJWLH-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.78
Rot. Bonds6

About 1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol

1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol (PubChem CID 112508033) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol.

Molecular Properties

Compound Name1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol
PubChem CID112508033
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol
SMILESCc1cc(C)cc(OCCC(O)CCN)c1
InChIInChI=1S/C13H21NO2/c1-10-7-11(2)9-13(8-10)16-6-4-12(15)3-5-14/h7-9,12,15H,3-6,14H2,1-2H3
InChIKeyQRKOMKPOONJWLH-UHFFFAOYSA-N
XLogP1.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-5-(3,5-dimethylphenoxy)pentan-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-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
1-amino-5-(3-chlorophenoxy)pentan-3-ol
CID 112508122
4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide
CID 63040857
1-amino-4-(3,5-dimethoxyphenoxy)butan-2-ol
CID 64812927
methyl 2-amino-4-(3,5-dimethylphenoxy)butanoate
CID 63041209
1-amino-4-(2,4,6-trimethylphenoxy)butan-2-ol
CID 64821908
1-amino-5-(2,3-dimethylphenoxy)pentan-3-ol
CID 112508032
6-methyl-1-(3-methylphenoxy)heptan-3-ol
CID 105085561
diethyl 2-[3-(3,5-dimethylphenoxy)propyl]propanedioate
CID 2843530
4-(3,5-dimethylphenoxy)-3-N,3-N-dimethylbutane-1,3-diamine
CID 112500996
(3S)-1-amino-6-(4-chloro-3-methylphenoxy)hexan-3-ol;hydrochloride
CID 68628163
4-(3,5-dimethylphenoxy)-2-(ethylamino)butanoic acid
CID 55143577

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol?
The IUPAC name of 1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol (CID 112508033) is 1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol.
What is the SMILES notation for 1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol?
The canonical SMILES for 1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol is Cc1cc(C)cc(OCCC(O)CCN)c1.
What is the InChIKey of 1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol?
The InChIKey is QRKOMKPOONJWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-7-11(2)9-13(8-10)16-6-4-12(15)3-5-14/h7-9,12,15H,3-6,14H2,1-2H3.
What are the key properties of 1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol?
1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol has a molecular weight of 223.32 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol is sourced from PubChem (CID 112508033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).