1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol

C15H23ClN2O — CID 60729575

IUPAC1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(CNCCc1ccc(Cl)cc1)CN1CCCC1
InChIInChI=1S/C15H23ClN2O/c16-14-5-3-13(4-6-14)7-8-17-11-15(19)12-18-9-1-2-10-18/h3-6,15,17,19H,1-2,7-12H2
InChIKeyRNDFXXHIDCATLD-UHFFFAOYSA-N
MW282.81 g/mol
LogP1.93
Rot. Bonds7

About 1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol

1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 60729575) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID60729575
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(CNCCc1ccc(Cl)cc1)CN1CCCC1
InChIInChI=1S/C15H23ClN2O/c16-14-5-3-13(4-6-14)7-8-17-11-15(19)12-18-9-1-2-10-18/h3-6,15,17,19H,1-2,7-12H2
InChIKeyRNDFXXHIDCATLD-UHFFFAOYSA-N
XLogP1.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 23153227
(2S)-1-morpholin-4-yl-3-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-ol
CID 8006726
N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 57374009
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-phenylethylamino)propan-2-ol
CID 167011971
2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 60672436
1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110885348
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol
CID 3962134
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 60684360
3-[2-(4-chlorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 109013807
1-[2-(3-fluorophenyl)ethylamino]-3-morpholin-4-ylpropan-2-ol
CID 60910058
1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 104760072

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol (CID 60729575) is 1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol is OC(CNCCc1ccc(Cl)cc1)CN1CCCC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is RNDFXXHIDCATLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c16-14-5-3-13(4-6-14)7-8-17-11-15(19)12-18-9-1-2-10-18/h3-6,15,17,19H,1-2,7-12H2.
What are the key properties of 1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol?
1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 282.81 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 60729575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).