4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenol;dihydrochloride

C14H24Cl2N2O — CID 47002531

IUPAC4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenol;dihydrochloride
SMILESCCN1CCCC1CNCc1ccc(O)cc1.Cl.Cl
InChIInChI=1S/C14H22N2O.2ClH/c1-2-16-9-3-4-13(16)11-15-10-12-5-7-14(17)8-6-12;;/h5-8,13,15,17H,2-4,9-11H2,1H3;2*1H
InChIKeyWTLOSGVJROXTLJ-UHFFFAOYSA-N
MW307.26 g/mol
LogP2.81
Rot. Bonds5

About 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenol;dihydrochloride

4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenol;dihydrochloride (PubChem CID 47002531) has the molecular formula C14H24Cl2N2O and a molecular weight of 307.26 g/mol. Its IUPAC name is 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenol;dihydrochloride.

Molecular Properties

Compound Name4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenol;dihydrochloride
PubChem CID47002531
Molecular FormulaC14H24Cl2N2O
Molecular Weight307.26 g/mol
Exact Mass306.13
IUPAC Name4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenol;dihydrochloride
SMILESCCN1CCCC1CNCc1ccc(O)cc1.Cl.Cl
InChIInChI=1S/C14H22N2O.2ClH/c1-2-16-9-3-4-13(16)11-15-10-12-5-7-14(17)8-6-12;;/h5-8,13,15,17H,2-4,9-11H2,1H3;2*1H
InChIKeyWTLOSGVJROXTLJ-UHFFFAOYSA-N
XLogP2.81
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenol;dihydrochloride with MolForge

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Related Compounds

4-((Dimethylamino)methyl)phenol
CID 32895
4-((Methylamino)methyl)phenol
CID 13104924
4-[(Cyclohexylamino)methyl]phenol
CID 407434
4-[[(1-Benzylpyrrolidin-3-yl)amino]methyl]phenol
CID 16259076
4-[(2R)-2-(2,2-dimethylpropylamino)-3-[[(2S,3S)-3-methyl-1-(methylamino)pentan-2-yl]amino]propyl]phenol
CID 24792597
4-[(2S)-3-{[(2S)-1-(benzylamino)-3-(4-hydroxyphenyl)propan-2-yl](methyl)amino}-2-(dimethylamino)propyl]phenol
CID 44415132
4-[(2S)-2-amino-3-{benzyl[(2S)-1-(4-hydroxyphenyl)-3-(methylamino)propan-2-yl]amino}propyl]phenol
CID 44415133
4-[(2S)-3-{[(2S)-1-amino-3-(4-hydroxyphenyl)propan-2-yl]amino}-2-(dimethylamino)propyl]phenol
CID 44415192
4-[(2S)-3-{[(2S)-1-(benzylamino)-3-(4-hydroxyphenyl)propan-2-yl](methyl)amino}-2-(methylamino)propyl]phenol
CID 44415224
4-[(2S)-2-amino-3-{[(2S)-1-(benzylamino)-3-(4-hydroxyphenyl)propan-2-yl](methyl)amino}propyl]phenol
CID 44415300
4-((S)-2-((R)-2-(2-cyclopentylethylamino)pentylamino)-3-(methylamino)propyl)phenol
CID 45482163
4-((S)-2-(2-cyclopentylethylamino)-3-((R)-1-(methylamino)pentan-2-ylamino)propyl)phenol
CID 45482164

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenol;dihydrochloride?
The IUPAC name of 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenol;dihydrochloride (CID 47002531) is 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenol;dihydrochloride.
What is the SMILES notation for 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenol;dihydrochloride?
The canonical SMILES for 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenol;dihydrochloride is CCN1CCCC1CNCc1ccc(O)cc1.Cl.Cl.
What is the InChIKey of 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenol;dihydrochloride?
The InChIKey is WTLOSGVJROXTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.2ClH/c1-2-16-9-3-4-13(16)11-15-10-12-5-7-14(17)8-6-12;;/h5-8,13,15,17H,2-4,9-11H2,1H3;2*1H.
What are the key properties of 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenol;dihydrochloride?
4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenol;dihydrochloride has a molecular weight of 307.26 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenol;dihydrochloride is sourced from PubChem (CID 47002531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).