N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine

C16H20BrNO — CID 65438724

IUPACN-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine
SMILESCCCNC(c1cc2cc(Br)cc(C)c2o1)C1CC1
InChIInChI=1S/C16H20BrNO/c1-3-6-18-15(11-4-5-11)14-9-12-8-13(17)7-10(2)16(12)19-14/h7-9,11,15,18H,3-6H2,1-2H3
InChIKeyLSGAYUWWAIZPFC-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.95
Rot. Bonds5

About N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine

N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine (PubChem CID 65438724) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine
PubChem CID65438724
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC NameN-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine
SMILESCCCNC(c1cc2cc(Br)cc(C)c2o1)C1CC1
InChIInChI=1S/C16H20BrNO/c1-3-6-18-15(11-4-5-11)14-9-12-8-13(17)7-10(2)16(12)19-14/h7-9,11,15,18H,3-6H2,1-2H3
InChIKeyLSGAYUWWAIZPFC-UHFFFAOYSA-N
XLogP4.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
CID 65438893
N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine
CID 105081278
N-[cyclopropyl-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 65440443
N-[3-bicyclo[3.1.0]hexanyl-(7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045439
N-[cyclopropyl-(4,6-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 65440428
N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114727995
1-(5-bromo-7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65438311
N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine
CID 107946084
N-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine
CID 81474265
N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 105045696
1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 65440043
N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 105153854

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine?
The IUPAC name of N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine (CID 65438724) is N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine?
The canonical SMILES for N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine is CCCNC(c1cc2cc(Br)cc(C)c2o1)C1CC1.
What is the InChIKey of N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine?
The InChIKey is LSGAYUWWAIZPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-3-6-18-15(11-4-5-11)14-9-12-8-13(17)7-10(2)16(12)19-14/h7-9,11,15,18H,3-6H2,1-2H3.
What are the key properties of N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine?
N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine has a molecular weight of 322.25 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine is sourced from PubChem (CID 65438724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).