1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine

C18H26N2O3 — CID 119125227

IUPAC1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine
SMILESCOCCOc1ccc(CNCC(c2ccco2)N(C)C)cc1
InChIInChI=1S/C18H26N2O3/c1-20(2)17(18-5-4-10-23-18)14-19-13-15-6-8-16(9-7-15)22-12-11-21-3/h4-10,17,19H,11-14H2,1-3H3
InChIKeyYNFJTUFTACQILP-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.70
Rot. Bonds10

About 1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine

1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 119125227) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID119125227
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine
SMILESCOCCOc1ccc(CNCC(c2ccco2)N(C)C)cc1
InChIInChI=1S/C18H26N2O3/c1-20(2)17(18-5-4-10-23-18)14-19-13-15-6-8-16(9-7-15)22-12-11-21-3/h4-10,17,19H,11-14H2,1-3H3
InChIKeyYNFJTUFTACQILP-UHFFFAOYSA-N
XLogP2.70
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide
CID 43232712
1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine
CID 78829971
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethylphenoxy)acetamide
CID 26819096
N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 60789165
1-(furan-2-yl)-N'-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 86978923
5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid
CID 63316815
1-(furan-2-yl)-N,N-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 55109777
1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(4-methylphenoxy)propyl]urea
CID 95695143
2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid
CID 83380917
2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol
CID 43202369
N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 61323901
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylguanidine
CID 111304151

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine (CID 119125227) is 1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine is COCCOc1ccc(CNCC(c2ccco2)N(C)C)cc1.
What is the InChIKey of 1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is YNFJTUFTACQILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-20(2)17(18-5-4-10-23-18)14-19-13-15-6-8-16(9-7-15)22-12-11-21-3/h4-10,17,19H,11-14H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine?
1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 318.42 g/mol, XLogP of 2.70, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 119125227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).