3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol

C16H26N2O2 — CID 117237909

IUPAC3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol
SMILESCC(C)N1CCC(C(CN)COc2cccc(O)c2)C1
InChIInChI=1S/C16H26N2O2/c1-12(2)18-7-6-13(10-18)14(9-17)11-20-16-5-3-4-15(19)8-16/h3-5,8,12-14,19H,6-7,9-11,17H2,1-2H3
InChIKeyWKSZDECOWNCYMD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.08
Rot. Bonds6

About 3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol

3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol (PubChem CID 117237909) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol.

Molecular Properties

Compound Name3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol
PubChem CID117237909
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol
SMILESCC(C)N1CCC(C(CN)COc2cccc(O)c2)C1
InChIInChI=1S/C16H26N2O2/c1-12(2)18-7-6-13(10-18)14(9-17)11-20-16-5-3-4-15(19)8-16/h3-5,8,12-14,19H,6-7,9-11,17H2,1-2H3
InChIKeyWKSZDECOWNCYMD-UHFFFAOYSA-N
XLogP2.08
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239345
3-[3-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239349
3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine
CID 117239247
3-(3-amino-2-cyclohexylpropoxy)phenol
CID 117245987
3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237898
4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol
CID 117237493
methyl 3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoate
CID 117238376
3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine
CID 117237900
3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239350
3-(2-amino-2-cyclobutylethoxy)phenol
CID 117245581
methyl 3-(3-hydroxyphenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate
CID 117238371
2-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol
CID 117237325

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol?
The IUPAC name of 3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol (CID 117237909) is 3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol.
What is the SMILES notation for 3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol?
The canonical SMILES for 3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol is CC(C)N1CCC(C(CN)COc2cccc(O)c2)C1.
What is the InChIKey of 3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol?
The InChIKey is WKSZDECOWNCYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)18-7-6-13(10-18)14(9-17)11-20-16-5-3-4-15(19)8-16/h3-5,8,12-14,19H,6-7,9-11,17H2,1-2H3.
What are the key properties of 3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol?
3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol has a molecular weight of 278.40 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol is sourced from PubChem (CID 117237909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).