2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-propoxyphenol

C17H28N2O2 — CID 82958700

IUPAC2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-propoxyphenol
SMILESCCCOc1ccc(CN2CCCC2CN(C)C)c(O)c1
InChIInChI=1S/C17H28N2O2/c1-4-10-21-16-8-7-14(17(20)11-16)12-19-9-5-6-15(19)13-18(2)3/h7-8,11,15,20H,4-6,9-10,12-13H2,1-3H3
InChIKeyAYGFFTVWAUBTCI-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.71
Rot. Bonds7

About 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-propoxyphenol

2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-propoxyphenol (PubChem CID 82958700) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-propoxyphenol.

Molecular Properties

Compound Name2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-propoxyphenol
PubChem CID82958700
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-propoxyphenol
SMILESCCCOc1ccc(CN2CCCC2CN(C)C)c(O)c1
InChIInChI=1S/C17H28N2O2/c1-4-10-21-16-8-7-14(17(20)11-16)12-19-9-5-6-15(19)13-18(2)3/h7-8,11,15,20H,4-6,9-10,12-13H2,1-3H3
InChIKeyAYGFFTVWAUBTCI-UHFFFAOYSA-N
XLogP2.71
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[cyclopentyl(methyl)amino]methyl]-5-propoxyphenol
CID 82974363
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline
CID 115414082
2-[(3,4-dimethylpiperazin-1-yl)methyl]-5-propoxyphenol
CID 82979285
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
CID 82979279
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline
CID 62885023
6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridin-3-ol
CID 82980192
2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
CID 82979557
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-methoxyaniline
CID 107208396
4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethoxy]benzoic acid
CID 62889995
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
CID 82981783
1-[1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885724
[3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol
CID 62887966

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-propoxyphenol?
The IUPAC name of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-propoxyphenol (CID 82958700) is 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-propoxyphenol.
What is the SMILES notation for 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-propoxyphenol?
The canonical SMILES for 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-propoxyphenol is CCCOc1ccc(CN2CCCC2CN(C)C)c(O)c1.
What is the InChIKey of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-propoxyphenol?
The InChIKey is AYGFFTVWAUBTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-10-21-16-8-7-14(17(20)11-16)12-19-9-5-6-15(19)13-18(2)3/h7-8,11,15,20H,4-6,9-10,12-13H2,1-3H3.
What are the key properties of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-propoxyphenol?
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-propoxyphenol has a molecular weight of 292.42 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-propoxyphenol is sourced from PubChem (CID 82958700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).