3-(2-chlorophenoxy)-2-(5-methylfuran-2-yl)propan-1-amine

C14H16ClNO2 — CID 117240499

IUPAC3-(2-chlorophenoxy)-2-(5-methylfuran-2-yl)propan-1-amine
SMILESCc1ccc(C(CN)COc2ccccc2Cl)o1
InChIInChI=1S/C14H16ClNO2/c1-10-6-7-13(18-10)11(8-16)9-17-14-5-3-2-4-12(14)15/h2-7,11H,8-9,16H2,1H3
InChIKeyZOUKASOBLJANDZ-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.36
Rot. Bonds5

About 3-(2-chlorophenoxy)-2-(5-methylfuran-2-yl)propan-1-amine

3-(2-chlorophenoxy)-2-(5-methylfuran-2-yl)propan-1-amine (PubChem CID 117240499) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-2-(5-methylfuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-2-(5-methylfuran-2-yl)propan-1-amine
PubChem CID117240499
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name3-(2-chlorophenoxy)-2-(5-methylfuran-2-yl)propan-1-amine
SMILESCc1ccc(C(CN)COc2ccccc2Cl)o1
InChIInChI=1S/C14H16ClNO2/c1-10-6-7-13(18-10)11(8-16)9-17-14-5-3-2-4-12(14)15/h2-7,11H,8-9,16H2,1H3
InChIKeyZOUKASOBLJANDZ-UHFFFAOYSA-N
XLogP3.36
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methylfuran-2-yl)-3-(2-methylphenoxy)propan-1-ol
CID 117240483
(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597
2-(2-chlorophenoxy)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51187818
2-(5-methylfuran-2-yl)-3-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 117240547
2-(2-methoxyphenoxy)-1-(5-methylfuran-2-yl)ethanamine
CID 16795378
3-amino-2-(5-methylfuran-2-yl)propan-1-ol
CID 83682054
(2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine
CID 39109828
3-(2-chlorophenoxy)-2-cyclopropylpropan-1-amine
CID 117245425
2-(2-chlorophenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834691
[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine
CID 62453737
2-amino-3-(2-chlorophenoxy)propane-1,1-diol
CID 156554315
1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene
CID 58044467

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-2-(5-methylfuran-2-yl)propan-1-amine?
The IUPAC name of 3-(2-chlorophenoxy)-2-(5-methylfuran-2-yl)propan-1-amine (CID 117240499) is 3-(2-chlorophenoxy)-2-(5-methylfuran-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2-chlorophenoxy)-2-(5-methylfuran-2-yl)propan-1-amine?
The canonical SMILES for 3-(2-chlorophenoxy)-2-(5-methylfuran-2-yl)propan-1-amine is Cc1ccc(C(CN)COc2ccccc2Cl)o1.
What is the InChIKey of 3-(2-chlorophenoxy)-2-(5-methylfuran-2-yl)propan-1-amine?
The InChIKey is ZOUKASOBLJANDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-10-6-7-13(18-10)11(8-16)9-17-14-5-3-2-4-12(14)15/h2-7,11H,8-9,16H2,1H3.
What are the key properties of 3-(2-chlorophenoxy)-2-(5-methylfuran-2-yl)propan-1-amine?
3-(2-chlorophenoxy)-2-(5-methylfuran-2-yl)propan-1-amine has a molecular weight of 265.74 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-2-(5-methylfuran-2-yl)propan-1-amine is sourced from PubChem (CID 117240499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).