(2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane

C14H22ClNO — CID 142544047

IUPAC(2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane
SMILESCCC.OC(c1ccccc1Cl)C1CCCN1
InChIInChI=1S/C11H14ClNO.C3H8/c12-9-5-2-1-4-8(9)11(14)10-6-3-7-13-10;1-3-2/h1-2,4-5,10-11,13-14H,3,6-7H2;3H2,1-2H3
InChIKeyXIBJCAWVBUWDLS-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.54
Rot. Bonds2

About (2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane

(2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane (PubChem CID 142544047) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is (2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane.

Molecular Properties

Compound Name(2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane
PubChem CID142544047
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name(2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane
SMILESCCC.OC(c1ccccc1Cl)C1CCCN1
InChIInChI=1S/C11H14ClNO.C3H8/c12-9-5-2-1-4-8(9)11(14)10-6-3-7-13-10;1-3-2/h1-2,4-5,10-11,13-14H,3,6-7H2;3H2,1-2H3
InChIKeyXIBJCAWVBUWDLS-UHFFFAOYSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197
2-[azepan-2-yl(hydroxy)methyl]phenol
CID 84686926
(R)-(2-chlorophenyl)-cyclopentylmethanol
CID 93462160
3-chloro-4-[hydroxy(piperidin-2-yl)methyl]phenol;(2-fluorophenyl)-piperidin-2-ylmethanol
CID 158994486
(2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol
CID 130713187
(R)-(2,3-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 148871488
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
(R)-(2-ethyl-3-methyl-1-benzothiophen-7-yl)-[(2S)-pyrrolidin-2-yl]methanol
CID 57110160
(2,5-diethylphenyl)-pyrrolidin-2-ylmethanol
CID 64866398
1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819503
(2-chlorophenyl)-(3-ethylcyclopentyl)methanol
CID 65411144
(2-amino-3-pyridinyl)-pyrrolidin-2-ylmethanol
CID 106639861

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane?
The IUPAC name of (2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane (CID 142544047) is (2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane.
What is the SMILES notation for (2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane?
The canonical SMILES for (2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane is CCC.OC(c1ccccc1Cl)C1CCCN1.
What is the InChIKey of (2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane?
The InChIKey is XIBJCAWVBUWDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO.C3H8/c12-9-5-2-1-4-8(9)11(14)10-6-3-7-13-10;1-3-2/h1-2,4-5,10-11,13-14H,3,6-7H2;3H2,1-2H3.
What are the key properties of (2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane?
(2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane has a molecular weight of 255.79 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane is sourced from PubChem (CID 142544047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).