2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol

C16H26N2O2 — CID 106607019

IUPAC2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCOc1cccc(C(C)N(CCO)CC2CCCN2)c1
InChIInChI=1S/C16H26N2O2/c1-13(14-5-3-7-16(11-14)20-2)18(9-10-19)12-15-6-4-8-17-15/h3,5,7,11,13,15,17,19H,4,6,8-10,12H2,1-2H3
InChIKeyRJFJFFYYTXLSMH-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.80
Rot. Bonds7

About 2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol

2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106607019) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106607019
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCOc1cccc(C(C)N(CCO)CC2CCCN2)c1
InChIInChI=1S/C16H26N2O2/c1-13(14-5-3-7-16(11-14)20-2)18(9-10-19)12-15-6-4-8-17-15/h3,5,7,11,13,15,17,19H,4,6,8-10,12H2,1-2H3
InChIKeyRJFJFFYYTXLSMH-UHFFFAOYSA-N
XLogP1.80
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604112
N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603171
2-[1-(2-fluoro-6-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606559
2-[1-(2-methoxy-5-methylphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606918
2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol
CID 106606415
2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606396
(1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638935
2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606795
2-[1-(2,4-dimethylphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606920
2-[2-(3-methoxyphenyl)propyl]piperidine
CID 105493505
1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605901
2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606385

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106607019) is 2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol is COc1cccc(C(C)N(CCO)CC2CCCN2)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is RJFJFFYYTXLSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(14-5-3-7-16(11-14)20-2)18(9-10-19)12-15-6-4-8-17-15/h3,5,7,11,13,15,17,19H,4,6,8-10,12H2,1-2H3.
What are the key properties of 2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 278.40 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106607019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).