1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol

C15H24N2O2 — CID 106025460

IUPAC1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol
SMILESCOc1cccc(C(O)CNCC2CCCN2C)c1
InChIInChI=1S/C15H24N2O2/c1-17-8-4-6-13(17)10-16-11-15(18)12-5-3-7-14(9-12)19-2/h3,5,7,9,13,15-16,18H,4,6,8,10-11H2,1-2H3
InChIKeyKDPVSCYLQWOVGP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.41
Rot. Bonds6

About 1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol

1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol (PubChem CID 106025460) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol
PubChem CID106025460
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol
SMILESCOc1cccc(C(O)CNCC2CCCN2C)c1
InChIInChI=1S/C15H24N2O2/c1-17-8-4-6-13(17)10-16-11-15(18)12-5-3-7-14(9-12)19-2/h3,5,7,9,13,15-16,18H,4,6,8,10-11H2,1-2H3
InChIKeyKDPVSCYLQWOVGP-UHFFFAOYSA-N
XLogP1.41
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride
CID 70591371
1-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 103729491
1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one
CID 81133458
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 81133466
N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropan-1-amine
CID 103626279
2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-(3-methoxyphenyl)ethanol
CID 81134315
2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81134737
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
5-methoxy-2-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 113229747
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
CID 106025545
[(1S)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethyl] acetate
CID 90475439
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol (CID 106025460) is 1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol is COc1cccc(C(O)CNCC2CCCN2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol?
The InChIKey is KDPVSCYLQWOVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17-8-4-6-13(17)10-16-11-15(18)12-5-3-7-14(9-12)19-2/h3,5,7,9,13,15-16,18H,4,6,8,10-11H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol?
1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol has a molecular weight of 264.37 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol is sourced from PubChem (CID 106025460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).