2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol

C12H19N3O — CID 106751244

IUPAC2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol
SMILESNc1ccc(N2CCC(CCO)C2)cc1N
InChIInChI=1S/C12H19N3O/c13-11-2-1-10(7-12(11)14)15-5-3-9(8-15)4-6-16/h1-2,7,9,16H,3-6,8,13-14H2
InChIKeySYOXPOMVZIMDIT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.06
Rot. Bonds3

About 2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol

2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol (PubChem CID 106751244) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol
PubChem CID106751244
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol
SMILESNc1ccc(N2CCC(CCO)C2)cc1N
InChIInChI=1S/C12H19N3O/c13-11-2-1-10(7-12(11)14)15-5-3-9(8-15)4-6-16/h1-2,7,9,16H,3-6,8,13-14H2
InChIKeySYOXPOMVZIMDIT-UHFFFAOYSA-N
XLogP1.06
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 114796967
2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol
CID 114796856
2-[2-amino-5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]acetonitrile
CID 102624752
2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol
CID 117028445
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107226950
2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol
CID 83981690
2-[1-(4-amino-2-iodophenyl)pyrrolidin-3-yl]ethanol
CID 114796849
2-[1-(4-amino-2-bromophenyl)pyrrolidin-3-yl]ethanol
CID 114796896
2-[1-(4-amino-2-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 114796888
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)benzenecarbothioamide
CID 114797684
5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 114797982

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol (CID 106751244) is 2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol is Nc1ccc(N2CCC(CCO)C2)cc1N.
What is the InChIKey of 2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol?
The InChIKey is SYOXPOMVZIMDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-11-2-1-10(7-12(11)14)15-5-3-9(8-15)4-6-16/h1-2,7,9,16H,3-6,8,13-14H2.
What are the key properties of 2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol?
2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 106751244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).