N-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine

C15H18ClNO — CID 65438893

IUPACN-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
SMILESCCNC(c1cc2cc(Cl)cc(C)c2o1)C1CC1
InChIInChI=1S/C15H18ClNO/c1-3-17-14(10-4-5-10)13-8-11-7-12(16)6-9(2)15(11)18-13/h6-8,10,14,17H,3-5H2,1-2H3
InChIKeyBOQJCVCKSIJXCK-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.46
Rot. Bonds4

About N-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine

N-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine (PubChem CID 65438893) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
PubChem CID65438893
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC NameN-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
SMILESCCNC(c1cc2cc(Cl)cc(C)c2o1)C1CC1
InChIInChI=1S/C15H18ClNO/c1-3-17-14(10-4-5-10)13-8-11-7-12(16)6-9(2)15(11)18-13/h6-8,10,14,17H,3-5H2,1-2H3
InChIKeyBOQJCVCKSIJXCK-UHFFFAOYSA-N
XLogP4.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine
CID 65441182
N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine
CID 65438724
N-[(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
CID 65438322
1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65441138
N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine
CID 102763969
N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 105153854
1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426697
1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine
CID 65439053
2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 105045508
N-[cyclopropyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
CID 104994062
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 105048494
N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine
CID 114730295

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine?
The IUPAC name of N-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine (CID 65438893) is N-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine?
The canonical SMILES for N-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine is CCNC(c1cc2cc(Cl)cc(C)c2o1)C1CC1.
What is the InChIKey of N-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine?
The InChIKey is BOQJCVCKSIJXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-3-17-14(10-4-5-10)13-8-11-7-12(16)6-9(2)15(11)18-13/h6-8,10,14,17H,3-5H2,1-2H3.
What are the key properties of N-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine?
N-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine has a molecular weight of 263.77 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine is sourced from PubChem (CID 65438893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).