2-(5-chlorofuran-2-yl)-3-(3-methoxyphenoxy)propan-1-amine

C14H16ClNO3 — CID 117240604

IUPAC2-(5-chlorofuran-2-yl)-3-(3-methoxyphenoxy)propan-1-amine
SMILESCOc1cccc(OCC(CN)c2ccc(Cl)o2)c1
InChIInChI=1S/C14H16ClNO3/c1-17-11-3-2-4-12(7-11)18-9-10(8-16)13-5-6-14(15)19-13/h2-7,10H,8-9,16H2,1H3
InChIKeyXRALVANJKQIKJJ-UHFFFAOYSA-N
MW281.74 g/mol
LogP3.06
Rot. Bonds6

About 2-(5-chlorofuran-2-yl)-3-(3-methoxyphenoxy)propan-1-amine

2-(5-chlorofuran-2-yl)-3-(3-methoxyphenoxy)propan-1-amine (PubChem CID 117240604) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-(5-chlorofuran-2-yl)-3-(3-methoxyphenoxy)propan-1-amine.

Molecular Properties

Compound Name2-(5-chlorofuran-2-yl)-3-(3-methoxyphenoxy)propan-1-amine
PubChem CID117240604
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name2-(5-chlorofuran-2-yl)-3-(3-methoxyphenoxy)propan-1-amine
SMILESCOc1cccc(OCC(CN)c2ccc(Cl)o2)c1
InChIInChI=1S/C14H16ClNO3/c1-17-11-3-2-4-12(7-11)18-9-10(8-16)13-5-6-14(15)19-13/h2-7,10H,8-9,16H2,1H3
InChIKeyXRALVANJKQIKJJ-UHFFFAOYSA-N
XLogP3.06
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-chlorofuran-2-yl)-3-(3-methoxyphenoxy)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methoxyphenoxy)-2-thiophen-2-ylpropan-1-amine
CID 112517172
2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine
CID 117240560
3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine
CID 112500977
2-(3-methoxyphenoxy)-1-(5-methylfuran-2-yl)ethanamine
CID 16784253
2-(5-methylfuran-2-yl)-3-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 117240547
1-(5-chlorofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 106691445
3-(3-methoxyphenoxy)-2-(4-methoxyphenyl)propan-1-ol
CID 117244947
1-(chloromethoxy)-3-methoxybenzene
CID 59086252
3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535
3-(2-chlorophenoxy)-2-(5-methylfuran-2-yl)propan-1-amine
CID 117240499
1-(2-ethenoxypent-4-enoxy)-3-methoxybenzene
CID 57079667

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorofuran-2-yl)-3-(3-methoxyphenoxy)propan-1-amine?
The IUPAC name of 2-(5-chlorofuran-2-yl)-3-(3-methoxyphenoxy)propan-1-amine (CID 117240604) is 2-(5-chlorofuran-2-yl)-3-(3-methoxyphenoxy)propan-1-amine.
What is the SMILES notation for 2-(5-chlorofuran-2-yl)-3-(3-methoxyphenoxy)propan-1-amine?
The canonical SMILES for 2-(5-chlorofuran-2-yl)-3-(3-methoxyphenoxy)propan-1-amine is COc1cccc(OCC(CN)c2ccc(Cl)o2)c1.
What is the InChIKey of 2-(5-chlorofuran-2-yl)-3-(3-methoxyphenoxy)propan-1-amine?
The InChIKey is XRALVANJKQIKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-17-11-3-2-4-12(7-11)18-9-10(8-16)13-5-6-14(15)19-13/h2-7,10H,8-9,16H2,1H3.
What are the key properties of 2-(5-chlorofuran-2-yl)-3-(3-methoxyphenoxy)propan-1-amine?
2-(5-chlorofuran-2-yl)-3-(3-methoxyphenoxy)propan-1-amine has a molecular weight of 281.74 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorofuran-2-yl)-3-(3-methoxyphenoxy)propan-1-amine is sourced from PubChem (CID 117240604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).