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

C16H26N2O2 — CID 82983747

IUPAC2-methoxy-4-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]phenol
SMILESCOc1cc(C(C)N(C)CC2CCCN2C)ccc1O
InChIInChI=1S/C16H26N2O2/c1-12(13-7-8-15(19)16(10-13)20-4)18(3)11-14-6-5-9-17(14)2/h7-8,10,12,14,19H,5-6,9,11H2,1-4H3
InChIKeyGIGRETZQNMPSHK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.49
Rot. Bonds5

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

2-methoxy-4-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]phenol (PubChem CID 82983747) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methoxy-4-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]phenol
PubChem CID82983747
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-methoxy-4-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]phenol
SMILESCOc1cc(C(C)N(C)CC2CCCN2C)ccc1O
InChIInChI=1S/C16H26N2O2/c1-12(13-7-8-15(19)16(10-13)20-4)18(3)11-14-6-5-9-17(14)2/h7-8,10,12,14,19H,5-6,9,11H2,1-4H3
InChIKeyGIGRETZQNMPSHK-UHFFFAOYSA-N
XLogP2.49
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol
CID 79308781
4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol
CID 113284221
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303265
2-methoxy-5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82983909
4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol
CID 82981648
2-methoxy-4-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol
CID 82982306
1-(2,6-dimethoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethenamine
CID 89080572
2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid
CID 65058654
2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82982737
(1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol
CID 79318960
4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol
CID 79647398
2-hydroxy-3-methoxy-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 154739282

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]phenol (CID 82983747) is 2-methoxy-4-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]phenol is COc1cc(C(C)N(C)CC2CCCN2C)ccc1O.
What is the InChIKey of 2-methoxy-4-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]phenol?
The InChIKey is GIGRETZQNMPSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(13-7-8-15(19)16(10-13)20-4)18(3)11-14-6-5-9-17(14)2/h7-8,10,12,14,19H,5-6,9,11H2,1-4H3.
What are the key properties of 2-methoxy-4-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]phenol?
2-methoxy-4-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]phenol has a molecular weight of 278.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]phenol is sourced from PubChem (CID 82983747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).