3-[(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidin-2-yl]propan-1-ol

C16H26N2O — CID 97045106

IUPAC3-[(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidin-2-yl]propan-1-ol
SMILESCN(CCN1CCC[C@@H]1CCCO)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-17(15-7-3-2-4-8-15)12-13-18-11-5-9-16(18)10-6-14-19/h2-4,7-8,16,19H,5-6,9-14H2,1H3/t16-/m1/s1
InChIKeyRWGLEJRQPHAQAO-MRXNPFEDSA-N
MW262.40 g/mol
LogP2.36
Rot. Bonds7

About 3-[(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidin-2-yl]propan-1-ol

3-[(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 97045106) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID97045106
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidin-2-yl]propan-1-ol
SMILESCN(CCN1CCC[C@@H]1CCCO)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-17(15-7-3-2-4-8-15)12-13-18-11-5-9-16(18)10-6-14-19/h2-4,7-8,16,19H,5-6,9-14H2,1H3/t16-/m1/s1
InChIKeyRWGLEJRQPHAQAO-MRXNPFEDSA-N
XLogP2.36
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 62467967
(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 119913957
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone
CID 55075882
3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467802
3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 111103083
3-[2-(3-phenylpropyl)piperidin-1-yl]propan-1-ol
CID 21153822
3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]propan-1-ol
CID 62468527
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62466981
3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 80601823
N-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
CID 110918997
3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62478492

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidin-2-yl]propan-1-ol (CID 97045106) is 3-[(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidin-2-yl]propan-1-ol is CN(CCN1CCC[C@@H]1CCCO)c1ccccc1.
What is the InChIKey of 3-[(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is RWGLEJRQPHAQAO-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26N2O/c1-17(15-7-3-2-4-8-15)12-13-18-11-5-9-16(18)10-6-14-19/h2-4,7-8,16,19H,5-6,9-14H2,1H3/t16-/m1/s1.
What are the key properties of 3-[(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidin-2-yl]propan-1-ol?
3-[(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 97045106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).