2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol

C17H28N2O — CID 106606385

IUPAC2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCCCC(c1ccccc1)N(CCO)CC1CCCN1
InChIInChI=1S/C17H28N2O/c1-2-7-17(15-8-4-3-5-9-15)19(12-13-20)14-16-10-6-11-18-16/h3-5,8-9,16-18,20H,2,6-7,10-14H2,1H3
InChIKeySIPDMCVPBMGMLW-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.57
Rot. Bonds8

About 2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol

2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106606385) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106606385
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCCCC(c1ccccc1)N(CCO)CC1CCCN1
InChIInChI=1S/C17H28N2O/c1-2-7-17(15-8-4-3-5-9-15)19(12-13-20)14-16-10-6-11-18-16/h3-5,8-9,16-18,20H,2,6-7,10-14H2,1H3
InChIKeySIPDMCVPBMGMLW-UHFFFAOYSA-N
XLogP2.57
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606795
2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol
CID 106606415
2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606396
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-phenylpropanamide
CID 106618033
2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106607007
2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106607019
2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606881
2-[1-cyclopropylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606811
N-(cyclopropylmethyl)-2-methyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604235
1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
CID 106623207
N-methyl-1,1-diphenyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106602654
2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618117

Frequently Asked Questions

What is the IUPAC name of 2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106606385) is 2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol is CCCC(c1ccccc1)N(CCO)CC1CCCN1.
What is the InChIKey of 2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is SIPDMCVPBMGMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-7-17(15-8-4-3-5-9-15)19(12-13-20)14-16-10-6-11-18-16/h3-5,8-9,16-18,20H,2,6-7,10-14H2,1H3.
What are the key properties of 2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 276.42 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106606385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).