2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol

C16H26N2O2 — CID 82982737

IUPAC2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
SMILESCCOc1cc(CN(C)CC2CCCN2C)ccc1O
InChIInChI=1S/C16H26N2O2/c1-4-20-16-10-13(7-8-15(16)19)11-17(2)12-14-6-5-9-18(14)3/h7-8,10,14,19H,4-6,9,11-12H2,1-3H3
InChIKeyLPOJKQLKIRFZNK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.32
Rot. Bonds6

About 2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol

2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol (PubChem CID 82982737) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
PubChem CID82982737
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
SMILESCCOc1cc(CN(C)CC2CCCN2C)ccc1O
InChIInChI=1S/C16H26N2O2/c1-4-20-16-10-13(7-8-15(16)19)11-17(2)12-14-6-5-9-18(14)3/h7-8,10,14,19H,4-6,9,11-12H2,1-3H3
InChIKeyLPOJKQLKIRFZNK-UHFFFAOYSA-N
XLogP2.32
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol (CID 82982737) is 2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol is CCOc1cc(CN(C)CC2CCCN2C)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol?
The InChIKey is LPOJKQLKIRFZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-20-16-10-13(7-8-15(16)19)11-17(2)12-14-6-5-9-18(14)3/h7-8,10,14,19H,4-6,9,11-12H2,1-3H3.
What are the key properties of 2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol?
2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol has a molecular weight of 278.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol is sourced from PubChem (CID 82982737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).