N-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine

C16H20ClNO3 — CID 106693326

IUPACN-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)o1)c1c(OC)cccc1OC
InChIInChI=1S/C16H20ClNO3/c1-4-10-18-16(13-8-9-14(17)21-13)15-11(19-2)6-5-7-12(15)20-3/h5-9,16,18H,4,10H2,1-3H3
InChIKeyJIBKWKCLTUTFJU-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.04
Rot. Bonds7

About N-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine

N-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine (PubChem CID 106693326) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine
PubChem CID106693326
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC NameN-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)o1)c1c(OC)cccc1OC
InChIInChI=1S/C16H20ClNO3/c1-4-10-18-16(13-8-9-14(17)21-13)15-11(19-2)6-5-7-12(15)20-3/h5-9,16,18H,4,10H2,1-3H3
InChIKeyJIBKWKCLTUTFJU-UHFFFAOYSA-N
XLogP4.04
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine
CID 106684608
N-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 106684318
N-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 106684326
N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105188741
N-[(2,6-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 116810640
N-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine
CID 105033460
N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 106684288
N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115793334
N-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 106687830
1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine
CID 116810739
N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 106692103
N-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 106684309

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine (CID 106693326) is N-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)o1)c1c(OC)cccc1OC.
What is the InChIKey of N-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine?
The InChIKey is JIBKWKCLTUTFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-4-10-18-16(13-8-9-14(17)21-13)15-11(19-2)6-5-7-12(15)20-3/h5-9,16,18H,4,10H2,1-3H3.
What are the key properties of N-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine?
N-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine has a molecular weight of 309.79 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 106693326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).