N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine

C15H17Cl2NO2 — CID 106684608

IUPACN-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)o1)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H17Cl2NO2/c1-3-8-18-15(13-6-7-14(17)20-13)11-9-10(16)4-5-12(11)19-2/h4-7,9,15,18H,3,8H2,1-2H3
InChIKeyUIRMJXQSBOVSDW-UHFFFAOYSA-N
MW314.21 g/mol
LogP4.68
Rot. Bonds6

About N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine

N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine (PubChem CID 106684608) has the molecular formula C15H17Cl2NO2 and a molecular weight of 314.21 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine
PubChem CID106684608
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.21 g/mol
Exact Mass313.06
IUPAC NameN-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)o1)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H17Cl2NO2/c1-3-8-18-15(13-6-7-14(17)20-13)11-9-10(16)4-5-12(11)19-2/h4-7,9,15,18H,3,8H2,1-2H3
InChIKeyUIRMJXQSBOVSDW-UHFFFAOYSA-N
XLogP4.68
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 106684326
N-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 106684318
N-[(2-bromofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine
CID 106851959
N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 106684341
N-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine
CID 106693326
N-[(5-chloro-2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102840443
N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 106684288
1-(5-chloro-2-methoxyphenyl)-N-propylprop-2-en-1-amine
CID 105000957
N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine
CID 43495206
1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62789352
1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 62346399
1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 79053738

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine (CID 106684608) is N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)o1)c1cc(Cl)ccc1OC.
What is the InChIKey of N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is UIRMJXQSBOVSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO2/c1-3-8-18-15(13-6-7-14(17)20-13)11-9-10(16)4-5-12(11)19-2/h4-7,9,15,18H,3,8H2,1-2H3.
What are the key properties of N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine?
N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 314.21 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 106684608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).