(1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol

C14H22N2O — CID 63372106

IUPAC(1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol
SMILESC[C@H](O)c1ccccc1N1CCC(N(C)C)C1
InChIInChI=1S/C14H22N2O/c1-11(17)13-6-4-5-7-14(13)16-9-8-12(10-16)15(2)3/h4-7,11-12,17H,8-10H2,1-3H3/t11-,12?/m0/s1
InChIKeyVMGCXIYCSGIKHW-PXYINDEMSA-N
MW234.34 g/mol
LogP1.88
Rot. Bonds3

About (1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol

(1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol (PubChem CID 63372106) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol
PubChem CID63372106
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol
SMILESC[C@H](O)c1ccccc1N1CCC(N(C)C)C1
InChIInChI=1S/C14H22N2O/c1-11(17)13-6-4-5-7-14(13)16-9-8-12(10-16)15(2)3/h4-7,11-12,17H,8-10H2,1-3H3/t11-,12?/m0/s1
InChIKeyVMGCXIYCSGIKHW-PXYINDEMSA-N
XLogP1.88
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol (CID 63372106) is (1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol is C[C@H](O)c1ccccc1N1CCC(N(C)C)C1.
What is the InChIKey of (1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol?
The InChIKey is VMGCXIYCSGIKHW-PXYINDEMSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(17)13-6-4-5-7-14(13)16-9-8-12(10-16)15(2)3/h4-7,11-12,17H,8-10H2,1-3H3/t11-,12?/m0/s1.
What are the key properties of (1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol?
(1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol has a molecular weight of 234.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol is sourced from PubChem (CID 63372106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).