2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol

C17H28N2O2 — CID 106606438

IUPAC2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCCCOc1cccc(CN(CCO)CC2CCCN2)c1
InChIInChI=1S/C17H28N2O2/c1-2-11-21-17-7-3-5-15(12-17)13-19(9-10-20)14-16-6-4-8-18-16/h3,5,7,12,16,18,20H,2,4,6,8-11,13-14H2,1H3
InChIKeyMKOLBMYLEPWOBC-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.02
Rot. Bonds9

About 2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol

2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106606438) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106606438
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCCCOc1cccc(CN(CCO)CC2CCCN2)c1
InChIInChI=1S/C17H28N2O2/c1-2-11-21-17-7-3-5-15(12-17)13-19(9-10-20)14-16-6-4-8-18-16/h3,5,7,12,16,18,20H,2,4,6,8-11,13-14H2,1H3
InChIKeyMKOLBMYLEPWOBC-UHFFFAOYSA-N
XLogP2.02
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602830
3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106607121
2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606862
2-[pyrrolidin-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol
CID 106606388
2-[2-(3,5-dimethylphenoxy)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618194
2-[(2-chloro-4-pyridinyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618047
N-[2-(3-chlorophenoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616599
N-[[3-(methoxymethyl)phenyl]methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623591
2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614950
2-[2-(3-propoxyphenyl)ethyl]piperidine
CID 62497478
N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605874
2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606786

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106606438) is 2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol is CCCOc1cccc(CN(CCO)CC2CCCN2)c1.
What is the InChIKey of 2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is MKOLBMYLEPWOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-2-11-21-17-7-3-5-15(12-17)13-19(9-10-20)14-16-6-4-8-18-16/h3,5,7,12,16,18,20H,2,4,6,8-11,13-14H2,1H3.
What are the key properties of 2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 292.42 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106606438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).