1-[2-(3-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C15H23ClN2O2 — CID 66052241

IUPAC1-[2-(3-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CCOc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-17(2)10-13-9-14(19)11-18(13)6-7-20-15-5-3-4-12(16)8-15/h3-5,8,13-14,19H,6-7,9-11H2,1-2H3
InChIKeyPWUZIAYDKSQBKH-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.72
Rot. Bonds6

About 1-[2-(3-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-[2-(3-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66052241) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66052241
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-[2-(3-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CCOc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-17(2)10-13-9-14(19)11-18(13)6-7-20-15-5-3-4-12(16)8-15/h3-5,8,13-14,19H,6-7,9-11H2,1-2H3
InChIKeyPWUZIAYDKSQBKH-UHFFFAOYSA-N
XLogP1.72
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053197
1-[2-(4-aminophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056573
1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 19085401
5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol
CID 66053960
1-[3-amino-3-(3-fluorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053507
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 66053732
1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490255
2-[2-(3-chlorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895378
3-[2-(3-chlorophenoxy)ethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
CID 91662160
1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol
CID 110908224
(2S)-4-[2-(3-chlorophenoxy)ethyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 95348975
1-[(3,4-difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 82930921

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66052241) is 1-[2-(3-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(3-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1CCOc1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is PWUZIAYDKSQBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-17(2)10-13-9-14(19)11-18(13)6-7-20-15-5-3-4-12(16)8-15/h3-5,8,13-14,19H,6-7,9-11H2,1-2H3.
What are the key properties of 1-[2-(3-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-[2-(3-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 298.81 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66052241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).