3-(2-amino-6-chlorophenyl)pyrrolidin-3-ol

C10H13ClN2O — CID 117103678

IUPAC3-(2-amino-6-chlorophenyl)pyrrolidin-3-ol
SMILESNc1cccc(Cl)c1C1(O)CCNC1
InChIInChI=1S/C10H13ClN2O/c11-7-2-1-3-8(12)9(7)10(14)4-5-13-6-10/h1-3,13-14H,4-6,12H2
InChIKeyNZWWPOHHTQINGI-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.10
Rot. Bonds1

About 3-(2-amino-6-chlorophenyl)pyrrolidin-3-ol

3-(2-amino-6-chlorophenyl)pyrrolidin-3-ol (PubChem CID 117103678) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-(2-amino-6-chlorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(2-amino-6-chlorophenyl)pyrrolidin-3-ol
PubChem CID117103678
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name3-(2-amino-6-chlorophenyl)pyrrolidin-3-ol
SMILESNc1cccc(Cl)c1C1(O)CCNC1
InChIInChI=1S/C10H13ClN2O/c11-7-2-1-3-8(12)9(7)10(14)4-5-13-6-10/h1-3,13-14H,4-6,12H2
InChIKeyNZWWPOHHTQINGI-UHFFFAOYSA-N
XLogP1.10
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-3-chlorophenyl)piperidin-4-ol
CID 117103771
3-(2-chloro-3-hydroxyphenyl)pyrrolidin-3-ol
CID 117103973
(3S)-3-(4-chlorophenyl)pyrrolidin-3-ol
CID 92967135
3-(2-bromo-6-hydroxyphenyl)pyrrolidin-3-ol
CID 117103918
(3R)-3-phenylpyrrolidin-3-ol;hydrochloride
CID 154574670
3-(5-bromo-2-chlorophenyl)pyrrolidin-3-ol
CID 117103942
3-(2-chloro-4-methylphenyl)pyrrolidin-3-ol
CID 117103965
3-(2,3-dibromophenyl)pyrrolidin-3-ol
CID 117103979
1-(2-amino-6-fluorophenyl)cyclohexan-1-ol
CID 117104236
3-[(2-aminophenyl)methyl]pyrrolidin-3-ol
CID 105446228
3-(2-bromo-4-chlorophenyl)pyrrolidin-3-ol
CID 117103961
1-[(2-amino-6-chloroanilino)methyl]cyclopentan-1-ol
CID 65103220

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-chlorophenyl)pyrrolidin-3-ol?
The IUPAC name of 3-(2-amino-6-chlorophenyl)pyrrolidin-3-ol (CID 117103678) is 3-(2-amino-6-chlorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(2-amino-6-chlorophenyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(2-amino-6-chlorophenyl)pyrrolidin-3-ol is Nc1cccc(Cl)c1C1(O)CCNC1.
What is the InChIKey of 3-(2-amino-6-chlorophenyl)pyrrolidin-3-ol?
The InChIKey is NZWWPOHHTQINGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-7-2-1-3-8(12)9(7)10(14)4-5-13-6-10/h1-3,13-14H,4-6,12H2.
What are the key properties of 3-(2-amino-6-chlorophenyl)pyrrolidin-3-ol?
3-(2-amino-6-chlorophenyl)pyrrolidin-3-ol has a molecular weight of 212.68 g/mol, XLogP of 1.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-chlorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 117103678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).