(3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol

C12H15Cl2NO — CID 111333775

IUPAC(3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol
SMILESCC(c1ccc(Cl)c(Cl)c1)N1CC[C@H](O)C1
InChIInChI=1S/C12H15Cl2NO/c1-8(15-5-4-10(16)7-15)9-2-3-11(13)12(14)6-9/h2-3,6,8,10,16H,4-5,7H2,1H3/t8?,10-/m0/s1
InChIKeyUUUKKSNOLHICJU-HTLJXXAVSA-N
MW260.16 g/mol
LogP3.12
Rot. Bonds2

About (3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol

(3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol (PubChem CID 111333775) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is (3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol
PubChem CID111333775
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name(3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol
SMILESCC(c1ccc(Cl)c(Cl)c1)N1CC[C@H](O)C1
InChIInChI=1S/C12H15Cl2NO/c1-8(15-5-4-10(16)7-15)9-2-3-11(13)12(14)6-9/h2-3,6,8,10,16H,4-5,7H2,1H3/t8?,10-/m0/s1
InChIKeyUUUKKSNOLHICJU-HTLJXXAVSA-N
XLogP3.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,4-dichlorophenyl)ethyl]-3-methylpiperidin-4-amine
CID 79879111
(3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol
CID 126787911
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807
(3R)-1-[(3,4-dichlorophenyl)-(1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
CID 141169178
1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol
CID 62942234
2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069288
(3S)-1-(1-pyridin-2-ylethyl)pyrrolidin-3-ol
CID 71301760
(3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol
CID 86329912
1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263345
1-(3,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207358
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
3-amino-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 107321211

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol (CID 111333775) is (3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol is CC(c1ccc(Cl)c(Cl)c1)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol?
The InChIKey is UUUKKSNOLHICJU-HTLJXXAVSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-8(15-5-4-10(16)7-15)9-2-3-11(13)12(14)6-9/h2-3,6,8,10,16H,4-5,7H2,1H3/t8?,10-/m0/s1.
What are the key properties of (3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol?
(3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol has a molecular weight of 260.16 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 111333775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).