1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine

C15H21ClN2O — CID 114730512

IUPAC1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
SMILESCCNC(CCN(C)C)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H21ClN2O/c1-4-17-13(8-9-18(2)3)14-10-11-6-5-7-12(16)15(11)19-14/h5-7,10,13,17H,4,8-9H2,1-3H3
InChIKeyJOHPSQRDYOEWOV-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.69
Rot. Bonds6

About 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine

1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine (PubChem CID 114730512) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
PubChem CID114730512
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
SMILESCCNC(CCN(C)C)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H21ClN2O/c1-4-17-13(8-9-18(2)3)14-10-11-6-5-7-12(16)15(11)19-14/h5-7,10,13,17H,4,8-9H2,1-3H3
InChIKeyJOHPSQRDYOEWOV-UHFFFAOYSA-N
XLogP3.69
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine
CID 114728128
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 114727840
1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol
CID 114727142
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2-(2-methylpropylsulfanyl)ethanamine
CID 114728971
1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764
N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine
CID 114729711
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105048673
4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine
CID 114733575
N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441133
N-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 114728426
N-[(7-chloro-1-benzofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105048624
1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine
CID 105149223

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine (CID 114730512) is 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine is CCNC(CCN(C)C)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is JOHPSQRDYOEWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-4-17-13(8-9-18(2)3)14-10-11-6-5-7-12(16)15(11)19-14/h5-7,10,13,17H,4,8-9H2,1-3H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine?
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 280.80 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 114730512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).