1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol

C13H19ClN2O — CID 62942234

IUPAC1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol
SMILESCC(N)C(c1ccc(Cl)cc1)N1CCC(O)C1
InChIInChI=1S/C13H19ClN2O/c1-9(15)13(16-7-6-12(17)8-16)10-2-4-11(14)5-3-10/h2-5,9,12-13,17H,6-8,15H2,1H3
InChIKeyATAUAGUDRSKKNV-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.79
Rot. Bonds3

About 1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol

1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol (PubChem CID 62942234) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol
PubChem CID62942234
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol
SMILESCC(N)C(c1ccc(Cl)cc1)N1CCC(O)C1
InChIInChI=1S/C13H19ClN2O/c1-9(15)13(16-7-6-12(17)8-16)10-2-4-11(14)5-3-10/h2-5,9,12-13,17H,6-8,15H2,1H3
InChIKeyATAUAGUDRSKKNV-UHFFFAOYSA-N
XLogP1.79
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol
CID 102955977
1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol
CID 55016863
1-(2-amino-1-phenylpropyl)piperidin-3-ol
CID 55017645
1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55015385
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-2-amine
CID 79916023
N-[1-(4-chlorophenyl)ethyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111333889
1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol
CID 62941502
(3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol
CID 111333775
7-[2-amino-1-(4-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095701
1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine
CID 62774780
N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332533
1-(1-aminoethyl)pyrrolidin-3-ol
CID 68831329

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol (CID 62942234) is 1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol is CC(N)C(c1ccc(Cl)cc1)N1CCC(O)C1.
What is the InChIKey of 1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol?
The InChIKey is ATAUAGUDRSKKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(15)13(16-7-6-12(17)8-16)10-2-4-11(14)5-3-10/h2-5,9,12-13,17H,6-8,15H2,1H3.
What are the key properties of 1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol?
1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol has a molecular weight of 254.76 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol is sourced from PubChem (CID 62942234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).