1-(4-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanol

C15H25N3O — CID 81460146

IUPAC1-(4-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanol
SMILESCC1CN(CC(O)c2ccc(N)cc2)CC1N(C)C
InChIInChI=1S/C15H25N3O/c1-11-8-18(9-14(11)17(2)3)10-15(19)12-4-6-13(16)7-5-12/h4-7,11,14-15,19H,8-10,16H2,1-3H3
InChIKeyUHJDISYFMULZSP-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.18
Rot. Bonds4

About 1-(4-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanol

1-(4-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanol (PubChem CID 81460146) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanol
PubChem CID81460146
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(4-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanol
SMILESCC1CN(CC(O)c2ccc(N)cc2)CC1N(C)C
InChIInChI=1S/C15H25N3O/c1-11-8-18(9-14(11)17(2)3)10-15(19)12-4-6-13(16)7-5-12/h4-7,11,14-15,19H,8-10,16H2,1-3H3
InChIKeyUHJDISYFMULZSP-UHFFFAOYSA-N
XLogP1.18
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanol (CID 81460146) is 1-(4-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanol is CC1CN(CC(O)c2ccc(N)cc2)CC1N(C)C.
What is the InChIKey of 1-(4-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanol?
The InChIKey is UHJDISYFMULZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-8-18(9-14(11)17(2)3)10-15(19)12-4-6-13(16)7-5-12/h4-7,11,14-15,19H,8-10,16H2,1-3H3.
What are the key properties of 1-(4-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanol?
1-(4-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanol has a molecular weight of 263.38 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanol is sourced from PubChem (CID 81460146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).