2-amino-2-(3-pyrrolidin-3-ylphenyl)ethanol

C12H18N2O — CID 116988654

IUPAC2-amino-2-(3-pyrrolidin-3-ylphenyl)ethanol
SMILESNC(CO)c1cccc(C2CCNC2)c1
InChIInChI=1S/C12H18N2O/c13-12(8-15)10-3-1-2-9(6-10)11-4-5-14-7-11/h1-3,6,11-12,14-15H,4-5,7-8,13H2
InChIKeyLZDQCBCTJTZZCK-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.76
Rot. Bonds3

About 2-amino-2-(3-pyrrolidin-3-ylphenyl)ethanol

2-amino-2-(3-pyrrolidin-3-ylphenyl)ethanol (PubChem CID 116988654) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-amino-2-(3-pyrrolidin-3-ylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-pyrrolidin-3-ylphenyl)ethanol
PubChem CID116988654
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-amino-2-(3-pyrrolidin-3-ylphenyl)ethanol
SMILESNC(CO)c1cccc(C2CCNC2)c1
InChIInChI=1S/C12H18N2O/c13-12(8-15)10-3-1-2-9(6-10)11-4-5-14-7-11/h1-3,6,11-12,14-15H,4-5,7-8,13H2
InChIKeyLZDQCBCTJTZZCK-UHFFFAOYSA-N
XLogP0.76
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-propan-2-ylphenyl)pyrrolidine
CID 58484109
3-pyrrolidin-3-ylphenol
CID 12937992
3-[(3S)-pyrrolidin-3-yl]aniline
CID 86324837
3-[3-(1,2-dimethoxyethyl)phenyl]pyrrolidine
CID 117343023
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330
(3S)-3-(3-ethylphenyl)pyrrolidine
CID 130943916
3-(3-iodophenyl)pyrrolidine;hydrochloride
CID 169498448
methyl 2-(3-piperidin-3-ylphenyl)butanoate
CID 116988779
3-amino-3-(3-cyclobutylphenyl)propanoic acid
CID 83837155
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
3-(3-piperidin-4-ylphenyl)butan-1-amine
CID 117336960
3-pyrrolidin-3-ylbenzonitrile;hydrochloride
CID 139593331

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-pyrrolidin-3-ylphenyl)ethanol?
The IUPAC name of 2-amino-2-(3-pyrrolidin-3-ylphenyl)ethanol (CID 116988654) is 2-amino-2-(3-pyrrolidin-3-ylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3-pyrrolidin-3-ylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(3-pyrrolidin-3-ylphenyl)ethanol is NC(CO)c1cccc(C2CCNC2)c1.
What is the InChIKey of 2-amino-2-(3-pyrrolidin-3-ylphenyl)ethanol?
The InChIKey is LZDQCBCTJTZZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-12(8-15)10-3-1-2-9(6-10)11-4-5-14-7-11/h1-3,6,11-12,14-15H,4-5,7-8,13H2.
What are the key properties of 2-amino-2-(3-pyrrolidin-3-ylphenyl)ethanol?
2-amino-2-(3-pyrrolidin-3-ylphenyl)ethanol has a molecular weight of 206.29 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-pyrrolidin-3-ylphenyl)ethanol is sourced from PubChem (CID 116988654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).