N-[2-(4-chlorophenoxy)-1-(furan-3-yl)ethyl]propan-1-amine

C15H18ClNO2 — CID 105146820

IUPACN-[2-(4-chlorophenoxy)-1-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(COc1ccc(Cl)cc1)c1ccoc1
InChIInChI=1S/C15H18ClNO2/c1-2-8-17-15(12-7-9-18-10-12)11-19-14-5-3-13(16)4-6-14/h3-7,9-10,15,17H,2,8,11H2,1H3
InChIKeyILGYKOACWHAAFL-UHFFFAOYSA-N
MW279.77 g/mol
LogP4.05
Rot. Bonds7

About N-[2-(4-chlorophenoxy)-1-(furan-3-yl)ethyl]propan-1-amine

N-[2-(4-chlorophenoxy)-1-(furan-3-yl)ethyl]propan-1-amine (PubChem CID 105146820) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)-1-(furan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)-1-(furan-3-yl)ethyl]propan-1-amine
PubChem CID105146820
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC NameN-[2-(4-chlorophenoxy)-1-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(COc1ccc(Cl)cc1)c1ccoc1
InChIInChI=1S/C15H18ClNO2/c1-2-8-17-15(12-7-9-18-10-12)11-19-14-5-3-13(16)4-6-14/h3-7,9-10,15,17H,2,8,11H2,1H3
InChIKeyILGYKOACWHAAFL-UHFFFAOYSA-N
XLogP4.05
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416707
N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416306
1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine
CID 105165730
N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029819
1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103027176
2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 105103537
1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine
CID 66039717
N-[2-(2-fluorophenyl)-1-(furan-3-yl)ethyl]propan-1-amine
CID 61064181
N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416441
1-(5-bromothiophen-2-yl)-3-(4-chlorophenoxy)-N-propylpropan-2-amine
CID 105134904
N-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559312
N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030186

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)-1-(furan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-chlorophenoxy)-1-(furan-3-yl)ethyl]propan-1-amine (CID 105146820) is N-[2-(4-chlorophenoxy)-1-(furan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenoxy)-1-(furan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenoxy)-1-(furan-3-yl)ethyl]propan-1-amine is CCCNC(COc1ccc(Cl)cc1)c1ccoc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)-1-(furan-3-yl)ethyl]propan-1-amine?
The InChIKey is ILGYKOACWHAAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-2-8-17-15(12-7-9-18-10-12)11-19-14-5-3-13(16)4-6-14/h3-7,9-10,15,17H,2,8,11H2,1H3.
What are the key properties of N-[2-(4-chlorophenoxy)-1-(furan-3-yl)ethyl]propan-1-amine?
N-[2-(4-chlorophenoxy)-1-(furan-3-yl)ethyl]propan-1-amine has a molecular weight of 279.77 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)-1-(furan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105146820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).