1-amino-5-(2,3-dimethylphenoxy)pentan-3-ol

C13H21NO2 — CID 112508032

IUPAC1-amino-5-(2,3-dimethylphenoxy)pentan-3-ol
SMILESCc1cccc(OCCC(O)CCN)c1C
InChIInChI=1S/C13H21NO2/c1-10-4-3-5-13(11(10)2)16-9-7-12(15)6-8-14/h3-5,12,15H,6-9,14H2,1-2H3
InChIKeyUUFSLIGHKCWAMC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.78
Rot. Bonds6

About 1-amino-5-(2,3-dimethylphenoxy)pentan-3-ol

1-amino-5-(2,3-dimethylphenoxy)pentan-3-ol (PubChem CID 112508032) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-amino-5-(2,3-dimethylphenoxy)pentan-3-ol.

Molecular Properties

Compound Name1-amino-5-(2,3-dimethylphenoxy)pentan-3-ol
PubChem CID112508032
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-amino-5-(2,3-dimethylphenoxy)pentan-3-ol
SMILESCc1cccc(OCCC(O)CCN)c1C
InChIInChI=1S/C13H21NO2/c1-10-4-3-5-13(11(10)2)16-9-7-12(15)6-8-14/h3-5,12,15H,6-9,14H2,1-2H3
InChIKeyUUFSLIGHKCWAMC-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

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Related Compounds

1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol
CID 112508761
1,2-dimethyl-3-(4-methylpentoxy)benzene
CID 103432295
3-(2,3-dimethylphenoxy)propanethioamide
CID 7745565
2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide
CID 63039159
N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine
CID 82339438
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422
1-[2-(2,3-dimethylphenoxy)ethyl]-1-methylhydrazine
CID 82281839
3-(2,3-dimethylphenoxy)pentan-1-amine
CID 43368078
4-(2,3-dimethylphenoxy)butyl acetate
CID 69169507
1-(3-bromopropoxy)-2,3-dimethylbenzene
CID 6483771
3-(2-aminoethoxy)-2-methylphenol
CID 83620006
methyl 4-(2,3-dimethylphenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 69304720

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(2,3-dimethylphenoxy)pentan-3-ol?
The IUPAC name of 1-amino-5-(2,3-dimethylphenoxy)pentan-3-ol (CID 112508032) is 1-amino-5-(2,3-dimethylphenoxy)pentan-3-ol.
What is the SMILES notation for 1-amino-5-(2,3-dimethylphenoxy)pentan-3-ol?
The canonical SMILES for 1-amino-5-(2,3-dimethylphenoxy)pentan-3-ol is Cc1cccc(OCCC(O)CCN)c1C.
What is the InChIKey of 1-amino-5-(2,3-dimethylphenoxy)pentan-3-ol?
The InChIKey is UUFSLIGHKCWAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-4-3-5-13(11(10)2)16-9-7-12(15)6-8-14/h3-5,12,15H,6-9,14H2,1-2H3.
What are the key properties of 1-amino-5-(2,3-dimethylphenoxy)pentan-3-ol?
1-amino-5-(2,3-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-(2,3-dimethylphenoxy)pentan-3-ol is sourced from PubChem (CID 112508032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).