1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol

C15H22ClNO2 — CID 102789664

IUPAC1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol
SMILESCC1CCN(CCC(O)c2cccc(Cl)c2)C1CO
InChIInChI=1S/C15H22ClNO2/c1-11-5-7-17(14(11)10-18)8-6-15(19)12-3-2-4-13(16)9-12/h2-4,9,11,14-15,18-19H,5-8,10H2,1H3
InChIKeyKIVMOMQZXARLCQ-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.47
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol

1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol (PubChem CID 102789664) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol
PubChem CID102789664
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol
SMILESCC1CCN(CCC(O)c2cccc(Cl)c2)C1CO
InChIInChI=1S/C15H22ClNO2/c1-11-5-7-17(14(11)10-18)8-6-15(19)12-3-2-4-13(16)9-12/h2-4,9,11,14-15,18-19H,5-8,10H2,1H3
InChIKeyKIVMOMQZXARLCQ-UHFFFAOYSA-N
XLogP2.47
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-chlorophenyl)propan-1-ol
CID 102728352
[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788253
1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 62941193
[1-[3-amino-3-(3-fluorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789596
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol
CID 55098468
1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol
CID 82685637
[1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777829
1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
CID 102967577
1-(3-chlorophenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-ol
CID 83221627
[1-[3-(ethylamino)-3-phenylpropyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789593
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
CID 81213880
[1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789594

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol (CID 102789664) is 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol is CC1CCN(CCC(O)c2cccc(Cl)c2)C1CO.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol?
The InChIKey is KIVMOMQZXARLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11-5-7-17(14(11)10-18)8-6-15(19)12-3-2-4-13(16)9-12/h2-4,9,11,14-15,18-19H,5-8,10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol?
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol has a molecular weight of 283.80 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol is sourced from PubChem (CID 102789664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).