2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol

C15H24N2O — CID 106606786

IUPAC2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESOCCN(CCc1ccccc1)CC1CCCN1
InChIInChI=1S/C15H24N2O/c18-12-11-17(13-15-7-4-9-16-15)10-8-14-5-2-1-3-6-14/h1-3,5-6,15-16,18H,4,7-13H2
InChIKeyROTCGVZYSMHFAK-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.28
Rot. Bonds7

About 2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol

2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106606786) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106606786
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESOCCN(CCc1ccccc1)CC1CCCN1
InChIInChI=1S/C15H24N2O/c18-12-11-17(13-15-7-4-9-16-15)10-8-14-5-2-1-3-6-14/h1-3,5-6,15-16,18H,4,7-13H2
InChIKeyROTCGVZYSMHFAK-UHFFFAOYSA-N
XLogP1.28
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-3-ethenyl-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine
CID 143118466
3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106607121
2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606862
4-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzoic acid
CID 106617921
2-[2-(dimethylamino)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618094
2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618055
2-[pyrrolidin-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol
CID 106606388
2-[2-ethylsulfonylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618300
N-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616617
5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid
CID 106618138
2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606438
N-methyl-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide
CID 61365250

Frequently Asked Questions

What is the IUPAC name of 2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106606786) is 2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol is OCCN(CCc1ccccc1)CC1CCCN1.
What is the InChIKey of 2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is ROTCGVZYSMHFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c18-12-11-17(13-15-7-4-9-16-15)10-8-14-5-2-1-3-6-14/h1-3,5-6,15-16,18H,4,7-13H2.
What are the key properties of 2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 248.37 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106606786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).