1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol

C14H19Cl2NO2 — CID 110022533

IUPAC1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol
SMILESCOc1c(Cl)cc(Cl)cc1CN1CCC(C(C)O)C1
InChIInChI=1S/C14H19Cl2NO2/c1-9(18)10-3-4-17(7-10)8-11-5-12(15)6-13(16)14(11)19-2/h5-6,9-10,18H,3-4,7-8H2,1-2H3
InChIKeySKUWARWADKZEDX-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.20
Rot. Bonds4

About 1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol

1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 110022533) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID110022533
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol
SMILESCOc1c(Cl)cc(Cl)cc1CN1CCC(C(C)O)C1
InChIInChI=1S/C14H19Cl2NO2/c1-9(18)10-3-4-17(7-10)8-11-5-12(15)6-13(16)14(11)19-2/h5-6,9-10,18H,3-4,7-8H2,1-2H3
InChIKeySKUWARWADKZEDX-UHFFFAOYSA-N
XLogP3.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 155493220
1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 75438342
1-[(3S)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
CID 99936854
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 106869306
1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767
1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111824353
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
1-[(6S)-4-[(3,5-dichloro-2-methoxyphenyl)methyl]-1,4-oxazepan-6-yl]-N,N-dimethylmethanamine
CID 95728687
5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol
CID 83941161
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
2-bromo-4-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-6-methoxyphenol
CID 110022595
1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 5182680

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol (CID 110022533) is 1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol is COc1c(Cl)cc(Cl)cc1CN1CCC(C(C)O)C1.
What is the InChIKey of 1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is SKUWARWADKZEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-9(18)10-3-4-17(7-10)8-11-5-12(15)6-13(16)14(11)19-2/h5-6,9-10,18H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol?
1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 304.22 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 110022533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).