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

C14H18ClNOS — CID 114728426

IUPACN-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSC)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C14H18ClNOS/c1-3-7-16-12(9-18-2)13-8-10-5-4-6-11(15)14(10)17-13/h4-6,8,12,16H,3,7,9H2,1-2H3
InChIKeyNVAMCJUGJQLSSZ-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.49
Rot. Bonds6

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

N-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine (PubChem CID 114728426) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is N-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine
PubChem CID114728426
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC NameN-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSC)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C14H18ClNOS/c1-3-7-16-12(9-18-2)13-8-10-5-4-6-11(15)14(10)17-13/h4-6,8,12,16H,3,7,9H2,1-2H3
InChIKeyNVAMCJUGJQLSSZ-UHFFFAOYSA-N
XLogP4.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114728053
N-[1-(7-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 114728334
1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 105048645
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2-(2-methylpropylsulfanyl)ethanamine
CID 114728971
N-[1-(7-chloro-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 105048576
1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764
1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-propylbutan-1-amine
CID 114731108
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 114727840
N-[(7-chloro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]propan-1-amine
CID 114729105
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine
CID 114728128
N-[(7-chloro-1-benzofuran-2-yl)-(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105186994
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 114730512

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine (CID 114728426) is N-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine is CCCNC(CSC)c1cc2cccc(Cl)c2o1.
What is the InChIKey of N-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine?
The InChIKey is NVAMCJUGJQLSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNOS/c1-3-7-16-12(9-18-2)13-8-10-5-4-6-11(15)14(10)17-13/h4-6,8,12,16H,3,7,9H2,1-2H3.
What are the key properties of N-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine?
N-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine has a molecular weight of 283.82 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine is sourced from PubChem (CID 114728426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).