1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol

C18H28N2O2 — CID 111488276

IUPAC1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol
SMILESCc1ccc(C(O)CN2CCC(CN3CCOCC3)C2)cc1
InChIInChI=1S/C18H28N2O2/c1-15-2-4-17(5-3-15)18(21)14-20-7-6-16(13-20)12-19-8-10-22-11-9-19/h2-5,16,18,21H,6-14H2,1H3
InChIKeyNBFOJQURSDYMQY-UHFFFAOYSA-N
MW304.43 g/mol
LogP1.68
Rot. Bonds5

About 1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol

1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol (PubChem CID 111488276) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol
PubChem CID111488276
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol
SMILESCc1ccc(C(O)CN2CCC(CN3CCOCC3)C2)cc1
InChIInChI=1S/C18H28N2O2/c1-15-2-4-17(5-3-15)18(21)14-20-7-6-16(13-20)12-19-8-10-22-11-9-19/h2-5,16,18,21H,6-14H2,1H3
InChIKeyNBFOJQURSDYMQY-UHFFFAOYSA-N
XLogP1.68
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 120670473
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 112698266
(1R)-1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanol
CID 1229946
1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanol
CID 3070078
1-(2,4-difluorophenyl)-2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanol
CID 111118057
3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol
CID 113418919
1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
1-[4-(5-methylfuran-2-yl)phenyl]-2-morpholin-4-ylethanol
CID 45250649
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(4-methylphenyl)ethanol
CID 63150644
1-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]piperidin-2-one
CID 111496583
(1S)-1-[4-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-morpholin-4-ylethanol
CID 126432061

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol?
The IUPAC name of 1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol (CID 111488276) is 1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol is Cc1ccc(C(O)CN2CCC(CN3CCOCC3)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol?
The InChIKey is NBFOJQURSDYMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15-2-4-17(5-3-15)18(21)14-20-7-6-16(13-20)12-19-8-10-22-11-9-19/h2-5,16,18,21H,6-14H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol?
1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol has a molecular weight of 304.43 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 111488276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).