N-[(5-chloro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine

C15H20ClNO — CID 114375532

IUPACN-[(5-chloro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1oc2c(C)cc(Cl)cc2c1C(C)C
InChIInChI=1S/C15H20ClNO/c1-5-17-8-13-14(9(2)3)12-7-11(16)6-10(4)15(12)18-13/h6-7,9,17H,5,8H2,1-4H3
InChIKeyZYWBRTSNHGVZHC-UHFFFAOYSA-N
MW265.78 g/mol
LogP4.63
Rot. Bonds4

About N-[(5-chloro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine

N-[(5-chloro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 114375532) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-[(5-chloro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID114375532
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-[(5-chloro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1oc2c(C)cc(Cl)cc2c1C(C)C
InChIInChI=1S/C15H20ClNO/c1-5-17-8-13-14(9(2)3)12-7-11(16)6-10(4)15(12)18-13/h6-7,9,17H,5,8H2,1-4H3
InChIKeyZYWBRTSNHGVZHC-UHFFFAOYSA-N
XLogP4.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7-chloro-4-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine
CID 114376933
N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376666
N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114377113
N-[(7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114377094
N-[(5-chloro-3-ethyl-7-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 114267988
(3-tert-butyl-5-chloro-7-methyl-1-benzofuran-2-yl)methanamine
CID 55068825
N-[(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)methyl]ethanamine
CID 81049450
N-[(7-methoxy-5-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114375018
N-[(7-chloro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 81047321
N-[(3-tert-butyl-7-chloro-5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114377235
N-[(6-chloro-7-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114377736
N-[(7-bromo-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114376798

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine (CID 114375532) is N-[(5-chloro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine is CCNCc1oc2c(C)cc(Cl)cc2c1C(C)C.
What is the InChIKey of N-[(5-chloro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is ZYWBRTSNHGVZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-5-17-8-13-14(9(2)3)12-7-11(16)6-10(4)15(12)18-13/h6-7,9,17H,5,8H2,1-4H3.
What are the key properties of N-[(5-chloro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine?
N-[(5-chloro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 265.78 g/mol, XLogP of 4.63, 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-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 114375532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).