1-(3-chlorophenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-ol

C16H24ClNO — CID 83221627

IUPAC1-(3-chlorophenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-ol
SMILESCCC1CCC(C)N1CCC(O)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClNO/c1-3-15-8-7-12(2)18(15)10-9-16(19)13-5-4-6-14(17)11-13/h4-6,11-12,15-16,19H,3,7-10H2,1-2H3
InChIKeyIHVZAQUECKYWES-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.03
Rot. Bonds5

About 1-(3-chlorophenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-ol

1-(3-chlorophenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-ol (PubChem CID 83221627) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-ol
PubChem CID83221627
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(3-chlorophenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-ol
SMILESCCC1CCC(C)N1CCC(O)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClNO/c1-3-15-8-7-12(2)18(15)10-9-16(19)13-5-4-6-14(17)11-13/h4-6,11-12,15-16,19H,3,7-10H2,1-2H3
InChIKeyIHVZAQUECKYWES-UHFFFAOYSA-N
XLogP4.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol
CID 102789664
1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 62941193
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine
CID 83222009
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-chlorophenyl)propan-1-ol
CID 102728352
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol
CID 55098468
N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-amine
CID 83220381
1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
CID 102967577
1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine
CID 55098305
3-chloro-1-(3-chlorophenyl)propan-1-ol
CID 22621587
ethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate
CID 83221351
1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol
CID 82685637
1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine
CID 83220497

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-ol (CID 83221627) is 1-(3-chlorophenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-ol is CCC1CCC(C)N1CCC(O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-ol?
The InChIKey is IHVZAQUECKYWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-15-8-7-12(2)18(15)10-9-16(19)13-5-4-6-14(17)11-13/h4-6,11-12,15-16,19H,3,7-10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-ol?
1-(3-chlorophenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-ol has a molecular weight of 281.83 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-ol is sourced from PubChem (CID 83221627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).