1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol

C16H26N2O — CID 83227590

IUPAC1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol
SMILESCCC1CCC(C)N1CC(O)c1ccc(CN)cc1
InChIInChI=1S/C16H26N2O/c1-3-15-9-4-12(2)18(15)11-16(19)14-7-5-13(10-17)6-8-14/h5-8,12,15-16,19H,3-4,9-11,17H2,1-2H3
InChIKeyFTGRYSWYDOLJAY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds5

About 1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol

1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol (PubChem CID 83227590) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol
PubChem CID83227590
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol
SMILESCCC1CCC(C)N1CC(O)c1ccc(CN)cc1
InChIInChI=1S/C16H26N2O/c1-3-15-9-4-12(2)18(15)11-16(19)14-7-5-13(10-17)6-8-14/h5-8,12,15-16,19H,3-4,9-11,17H2,1-2H3
InChIKeyFTGRYSWYDOLJAY-UHFFFAOYSA-N
XLogP2.44
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol
CID 83221740
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
[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 83227678
[6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]methanamine
CID 83221720
1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol
CID 62199977
(2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine
CID 103934796
1-[4-(aminomethyl)phenyl]propan-1-ol
CID 22716491
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 83219356
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-methylphenyl)ethanol
CID 113246645
1-[4-(aminomethyl)phenyl]-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 79927537
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 107521951

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol (CID 83227590) is 1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol is CCC1CCC(C)N1CC(O)c1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol?
The InChIKey is FTGRYSWYDOLJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-15-9-4-12(2)18(15)11-16(19)14-7-5-13(10-17)6-8-14/h5-8,12,15-16,19H,3-4,9-11,17H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol?
1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol has a molecular weight of 262.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol is sourced from PubChem (CID 83227590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).