3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol

C11H18N2O2 — CID 79588900

IUPAC3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol
SMILESCN(C)c1ccc(N)c(OCCCO)c1
InChIInChI=1S/C11H18N2O2/c1-13(2)9-4-5-10(12)11(8-9)15-7-3-6-14/h4-5,8,14H,3,6-7,12H2,1-2H3
InChIKeyOWYUTPKZDIHNOU-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.10
Rot. Bonds5

About 3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol

3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol (PubChem CID 79588900) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol
PubChem CID79588900
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol
SMILESCN(C)c1ccc(N)c(OCCCO)c1
InChIInChI=1S/C11H18N2O2/c1-13(2)9-4-5-10(12)11(8-9)15-7-3-6-14/h4-5,8,14H,3,6-7,12H2,1-2H3
InChIKeyOWYUTPKZDIHNOU-UHFFFAOYSA-N
XLogP1.10
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-5-(dimethylamino)phenoxy]ethanol
CID 79589167
4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol
CID 79588662
4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine
CID 79588986
4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine
CID 79588899
4-amino-3-(3-hydroxypropoxy)-N,N-dimethylbenzenesulfonamide
CID 82901321
4-N,4-N-dimethyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene-1,4-diamine
CID 116614847
2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79588821
2-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]ethanol;prop-1-en-2-amine;4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 171502663
4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine
CID 106721717
5-(2-amino-5-methoxyphenoxy)pentan-1-ol
CID 102702306
3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide
CID 79589419
4-amino-3-(3-hydroxypropoxy)benzamide
CID 63356843

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol?
The IUPAC name of 3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol (CID 79588900) is 3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol.
What is the SMILES notation for 3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol?
The canonical SMILES for 3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol is CN(C)c1ccc(N)c(OCCCO)c1.
What is the InChIKey of 3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol?
The InChIKey is OWYUTPKZDIHNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-13(2)9-4-5-10(12)11(8-9)15-7-3-6-14/h4-5,8,14H,3,6-7,12H2,1-2H3.
What are the key properties of 3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol?
3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol is sourced from PubChem (CID 79588900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).