2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol

C16H22N2O3 — CID 43202369

IUPAC2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CNCC(c2ccco2)N(C)C)c1O
InChIInChI=1S/C16H22N2O3/c1-18(2)13(14-8-5-9-21-14)11-17-10-12-6-4-7-15(20-3)16(12)19/h4-9,13,17,19H,10-11H2,1-3H3
InChIKeyJKYUSFLZHBGFFM-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.39
Rot. Bonds7

About 2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol

2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol (PubChem CID 43202369) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol
PubChem CID43202369
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CNCC(c2ccco2)N(C)C)c1O
InChIInChI=1S/C16H22N2O3/c1-18(2)13(14-8-5-9-21-14)11-17-10-12-6-4-7-15(20-3)16(12)19/h4-9,13,17,19H,10-11H2,1-3H3
InChIKeyJKYUSFLZHBGFFM-UHFFFAOYSA-N
XLogP2.39
TPSA57.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol
CID 103953071
N'-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43312684
2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol
CID 64569461
1-(furan-2-yl)-N'-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 86978923
2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol
CID 115655699
2-[[2-(dimethylamino)propylamino]methyl]-6-ethoxyphenol
CID 54913244
N'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 103605184
2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol
CID 115764164
N'-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 60658274
3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111282531
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
CID 41453426
2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid
CID 83380917

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol (CID 43202369) is 2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol is COc1cccc(CNCC(c2ccco2)N(C)C)c1O.
What is the InChIKey of 2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol?
The InChIKey is JKYUSFLZHBGFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18(2)13(14-8-5-9-21-14)11-17-10-12-6-4-7-15(20-3)16(12)19/h4-9,13,17,19H,10-11H2,1-3H3.
What are the key properties of 2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol?
2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol has a molecular weight of 290.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol is sourced from PubChem (CID 43202369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).