1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol

C14H19Cl2NO — CID 113321883

IUPAC1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H19Cl2NO/c1-10(18)8-11-4-3-7-17(11)9-12-13(15)5-2-6-14(12)16/h2,5-6,10-11,18H,3-4,7-9H2,1H3
InChIKeyLTKVNROYNWTEDP-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.73
Rot. Bonds4

About 1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol

1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 113321883) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol
PubChem CID113321883
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H19Cl2NO/c1-10(18)8-11-4-3-7-17(11)9-12-13(15)5-2-6-14(12)16/h2,5-6,10-11,18H,3-4,7-9H2,1H3
InChIKeyLTKVNROYNWTEDP-UHFFFAOYSA-N
XLogP3.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581436
[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 29080623
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758703
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 55092410
N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 63528020
3-chloro-2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenol
CID 115882280
1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 115883125
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581616
1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321893
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321888
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55168005
4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]benzoic acid
CID 114337900

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol (CID 113321883) is 1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol is CC(O)CC1CCCN1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is LTKVNROYNWTEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-10(18)8-11-4-3-7-17(11)9-12-13(15)5-2-6-14(12)16/h2,5-6,10-11,18H,3-4,7-9H2,1H3.
What are the key properties of 1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol?
1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 288.22 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 113321883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).