2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol

C18H29NO — CID 83221740

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)CN2C(C)CCC2CC)cc1
InChIInChI=1S/C18H29NO/c1-4-6-15-8-10-16(11-9-15)18(20)13-19-14(3)7-12-17(19)5-2/h8-11,14,17-18,20H,4-7,12-13H2,1-3H3
InChIKeyRWXRDGICZIPURH-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.94
Rot. Bonds6

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol

2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol (PubChem CID 83221740) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol
PubChem CID83221740
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)CN2C(C)CCC2CC)cc1
InChIInChI=1S/C18H29NO/c1-4-6-15-8-10-16(11-9-15)18(20)13-19-14(3)7-12-17(19)5-2/h8-11,14,17-18,20H,4-7,12-13H2,1-3H3
InChIKeyRWXRDGICZIPURH-UHFFFAOYSA-N
XLogP3.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol
CID 83227590
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 83219356
2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol
CID 104691439
1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol
CID 114539064
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol
CID 83135383
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol
CID 83136214
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol
CID 115561354
2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol
CID 63635565
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-methylphenyl)ethanol
CID 113246645
N-[2-[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
CID 105348207
(4-ethylcyclohexyl)-(4-propylphenyl)methanol
CID 65393723
2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol
CID 102966119

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol (CID 83221740) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol is CCCc1ccc(C(O)CN2C(C)CCC2CC)cc1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol?
The InChIKey is RWXRDGICZIPURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-6-15-8-10-16(11-9-15)18(20)13-19-14(3)7-12-17(19)5-2/h8-11,14,17-18,20H,4-7,12-13H2,1-3H3.
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol?
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol has a molecular weight of 275.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol is sourced from PubChem (CID 83221740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).