1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine

C14H16ClNO2 — CID 105177249

IUPAC1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine
SMILESCNC(COc1cccc(Cl)c1)Cc1ccco1
InChIInChI=1S/C14H16ClNO2/c1-16-12(9-14-6-3-7-17-14)10-18-13-5-2-4-11(15)8-13/h2-8,12,16H,9-10H2,1H3
InChIKeyFKHLAWCSHJOPCG-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.14
Rot. Bonds6

About 1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine

1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine (PubChem CID 105177249) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine
PubChem CID105177249
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine
SMILESCNC(COc1cccc(Cl)c1)Cc1ccco1
InChIInChI=1S/C14H16ClNO2/c1-16-12(9-14-6-3-7-17-14)10-18-13-5-2-4-11(15)8-13/h2-8,12,16H,9-10H2,1H3
InChIKeyFKHLAWCSHJOPCG-UHFFFAOYSA-N
XLogP3.14
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084372
1-(3-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165517
1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine
CID 105098748
1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 105088402
2-[(3-chlorophenoxy)methyl]-3-(furan-2-yl)propanoic acid
CID 117246393
1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 105190357
1-(3-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-methylpropan-2-amine
CID 83176064
1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105177460
1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine
CID 105139931
1-(3-chlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
CID 167784638
1-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 112692970
1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 105137093

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine (CID 105177249) is 1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine is CNC(COc1cccc(Cl)c1)Cc1ccco1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine?
The InChIKey is FKHLAWCSHJOPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-16-12(9-14-6-3-7-17-14)10-18-13-5-2-4-11(15)8-13/h2-8,12,16H,9-10H2,1H3.
What are the key properties of 1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine?
1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine has a molecular weight of 265.74 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 105177249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).