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

C17H26N2O — CID 106606862

IUPAC2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cccc(C2CC2)c1)CC1CCCN1
InChIInChI=1S/C17H26N2O/c20-10-9-19(13-17-5-2-8-18-17)12-14-3-1-4-16(11-14)15-6-7-15/h1,3-4,11,15,17-18,20H,2,5-10,12-13H2
InChIKeyKKXGAJYCSCIZFO-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.11
Rot. Bonds7

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

2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106606862) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106606862
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cccc(C2CC2)c1)CC1CCCN1
InChIInChI=1S/C17H26N2O/c20-10-9-19(13-17-5-2-8-18-17)12-14-3-1-4-16(11-14)15-6-7-15/h1,3-4,11,15,17-18,20H,2,5-10,12-13H2
InChIKeyKKXGAJYCSCIZFO-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106607121
2-[pyrrolidin-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol
CID 106606388
2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606438
2-[(2-chloro-4-pyridinyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618047
2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606786
4-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzoic acid
CID 106617921
2-[(5-bromo-3-pyridinyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606967
3-chloro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106607083
2-[(2,4-difluorophenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606887
N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731958
5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid
CID 106618138
N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605874

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106606862) is 2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol is OCCN(Cc1cccc(C2CC2)c1)CC1CCCN1.
What is the InChIKey of 2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is KKXGAJYCSCIZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c20-10-9-19(13-17-5-2-8-18-17)12-14-3-1-4-16(11-14)15-6-7-15/h1,3-4,11,15,17-18,20H,2,5-10,12-13H2.
What are the key properties of 2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 274.41 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106606862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).