1-(furan-2-yl)-N'-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine

C19H28N2O3 — CID 86978923

IUPAC1-(furan-2-yl)-N'-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCOc1cc(CNCC(c2ccco2)N(C)C)ccc1OC(C)C
InChIInChI=1S/C19H28N2O3/c1-14(2)24-18-9-8-15(11-19(18)22-5)12-20-13-16(21(3)4)17-7-6-10-23-17/h6-11,14,16,20H,12-13H2,1-5H3
InChIKeyQHUJABUHSFNVDJ-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.47
Rot. Bonds9

About 1-(furan-2-yl)-N'-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine

1-(furan-2-yl)-N'-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 86978923) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-(furan-2-yl)-N'-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N'-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID86978923
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-(furan-2-yl)-N'-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCOc1cc(CNCC(c2ccco2)N(C)C)ccc1OC(C)C
InChIInChI=1S/C19H28N2O3/c1-14(2)24-18-9-8-15(11-19(18)22-5)12-20-13-16(21(3)4)17-7-6-10-23-17/h6-11,14,16,20H,12-13H2,1-5H3
InChIKeyQHUJABUHSFNVDJ-UHFFFAOYSA-N
XLogP3.47
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 43391975
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
CID 41453426
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814
N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 60789165
2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol
CID 43202369
1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine
CID 119125227
1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 54849914
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine
CID 39422750
4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide
CID 43232712
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 111241858
N'-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43312684

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N'-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-(furan-2-yl)-N'-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine (CID 86978923) is 1-(furan-2-yl)-N'-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(furan-2-yl)-N'-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(furan-2-yl)-N'-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine is COc1cc(CNCC(c2ccco2)N(C)C)ccc1OC(C)C.
What is the InChIKey of 1-(furan-2-yl)-N'-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is QHUJABUHSFNVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(2)24-18-9-8-15(11-19(18)22-5)12-20-13-16(21(3)4)17-7-6-10-23-17/h6-11,14,16,20H,12-13H2,1-5H3.
What are the key properties of 1-(furan-2-yl)-N'-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine?
1-(furan-2-yl)-N'-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 332.44 g/mol, XLogP of 3.47, 9 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'-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 86978923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).