N-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine

C14H18N2O2 — CID 65379203

IUPACN-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine
SMILESCOc1cccc(NC(CN)c2ccc(C)o2)c1
InChIInChI=1S/C14H18N2O2/c1-10-6-7-14(18-10)13(9-15)16-11-4-3-5-12(8-11)17-2/h3-8,13,16H,9,15H2,1-2H3
InChIKeyLESXHZJZEOSXLP-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.71
Rot. Bonds5

About N-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine

N-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine (PubChem CID 65379203) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine
PubChem CID65379203
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine
SMILESCOc1cccc(NC(CN)c2ccc(C)o2)c1
InChIInChI=1S/C14H18N2O2/c1-10-6-7-14(18-10)13(9-15)16-11-4-3-5-12(8-11)17-2/h3-8,13,16H,9,15H2,1-2H3
InChIKeyLESXHZJZEOSXLP-UHFFFAOYSA-N
XLogP2.71
TPSA60.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65376485
1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65378155
1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65379421
1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 81437578
N-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 61065038
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
N-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66119415
2-(3-methoxyphenoxy)-1-(5-methylfuran-2-yl)ethanamine
CID 16784253
2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine
CID 65376487
1-(2,5-dimethoxyphenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65383399
1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine
CID 65377477
3-(3-methoxyanilino)-3-phenylpropanenitrile
CID 62779366

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine (CID 65379203) is N-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine is COc1cccc(NC(CN)c2ccc(C)o2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine?
The InChIKey is LESXHZJZEOSXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-6-7-14(18-10)13(9-15)16-11-4-3-5-12(8-11)17-2/h3-8,13,16H,9,15H2,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine?
N-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 65379203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).