N-[(7-chloro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]propan-1-amine

C16H20ClNO2 — CID 114729105

IUPACN-[(7-chloro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cccc(Cl)c2o1)C1CCCO1
InChIInChI=1S/C16H20ClNO2/c1-2-8-18-15(13-7-4-9-19-13)14-10-11-5-3-6-12(17)16(11)20-14/h3,5-6,10,13,15,18H,2,4,7-9H2,1H3
InChIKeyBIOUYLXSNDLIGV-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.31
Rot. Bonds5

About N-[(7-chloro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]propan-1-amine

N-[(7-chloro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]propan-1-amine (PubChem CID 114729105) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is N-[(7-chloro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(7-chloro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]propan-1-amine
PubChem CID114729105
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC NameN-[(7-chloro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cccc(Cl)c2o1)C1CCCO1
InChIInChI=1S/C16H20ClNO2/c1-2-8-18-15(13-7-4-9-19-13)14-10-11-5-3-6-12(17)16(11)20-14/h3,5-6,10,13,15,18H,2,4,7-9H2,1H3
InChIKeyBIOUYLXSNDLIGV-UHFFFAOYSA-N
XLogP4.31
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 114728426
1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 105048645
N-[1-(7-chloro-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 105048576
N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114727995
N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine
CID 105081278
N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43494552
1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114728053
[(7-fluoro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]hydrazine
CID 105229222
N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328759
N-[(7-chloro-1-benzofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105048624
N-[1-benzofuran-2-yl(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 105044189
1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-propylbutan-1-amine
CID 114731108

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(7-chloro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]propan-1-amine (CID 114729105) is N-[(7-chloro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(7-chloro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(7-chloro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]propan-1-amine is CCCNC(c1cc2cccc(Cl)c2o1)C1CCCO1.
What is the InChIKey of N-[(7-chloro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]propan-1-amine?
The InChIKey is BIOUYLXSNDLIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-2-8-18-15(13-7-4-9-19-13)14-10-11-5-3-6-12(17)16(11)20-14/h3,5-6,10,13,15,18H,2,4,7-9H2,1H3.
What are the key properties of N-[(7-chloro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]propan-1-amine?
N-[(7-chloro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]propan-1-amine has a molecular weight of 293.79 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114729105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).