N-[2-(3-chloro-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine

C15H16Cl2FNO — CID 106693463

IUPACN-[2-(3-chloro-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1F)c1ccc(Cl)o1
InChIInChI=1S/C15H16Cl2FNO/c1-2-8-19-12(13-6-7-14(17)20-13)9-10-4-3-5-11(16)15(10)18/h3-7,12,19H,2,8-9H2,1H3
InChIKeyYNTQRNQBVURBSH-UHFFFAOYSA-N
MW316.20 g/mol
LogP5.01
Rot. Bonds6

About N-[2-(3-chloro-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine

N-[2-(3-chloro-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine (PubChem CID 106693463) has the molecular formula C15H16Cl2FNO and a molecular weight of 316.20 g/mol. Its IUPAC name is N-[2-(3-chloro-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chloro-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine
PubChem CID106693463
Molecular FormulaC15H16Cl2FNO
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC NameN-[2-(3-chloro-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1F)c1ccc(Cl)o1
InChIInChI=1S/C15H16Cl2FNO/c1-2-8-19-12(13-6-7-14(17)20-13)9-10-4-3-5-11(16)15(10)18/h3-7,12,19H,2,8-9H2,1H3
InChIKeyYNTQRNQBVURBSH-UHFFFAOYSA-N
XLogP5.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.20
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chloro-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]propan-1-amine
CID 102866714
N-[2-(3-chloro-2-fluorophenyl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine
CID 102857832
N-[1-(5-chlorofuran-2-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
CID 106691522
2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine
CID 106692784
1-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine
CID 82805491
N-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 115830503
N-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 106687830
1-(3-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 102857759
1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 82805882
1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 102866601
N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 103444893
1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine
CID 64714891

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-chloro-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine (CID 106693463) is N-[2-(3-chloro-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-chloro-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-chloro-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Cl)c1F)c1ccc(Cl)o1.
What is the InChIKey of N-[2-(3-chloro-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine?
The InChIKey is YNTQRNQBVURBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2FNO/c1-2-8-19-12(13-6-7-14(17)20-13)9-10-4-3-5-11(16)15(10)18/h3-7,12,19H,2,8-9H2,1H3.
What are the key properties of N-[2-(3-chloro-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine?
N-[2-(3-chloro-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine has a molecular weight of 316.20 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106693463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).