N-[(2-bromo-5-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C15H15BrClNO — CID 66159670

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESClc1ccc(Br)c(CNC2CCCc3occc32)c1
InChIInChI=1S/C15H15BrClNO/c16-13-5-4-11(17)8-10(13)9-18-14-2-1-3-15-12(14)6-7-19-15/h4-8,14,18H,1-3,9H2
InChIKeyZFWPWDZQPVIYCT-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.86
Rot. Bonds3

About N-[(2-bromo-5-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-[(2-bromo-5-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 66159670) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID66159670
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESClc1ccc(Br)c(CNC2CCCc3occc32)c1
InChIInChI=1S/C15H15BrClNO/c16-13-5-4-11(17)8-10(13)9-18-14-2-1-3-15-12(14)6-7-19-15/h4-8,14,18H,1-3,9H2
InChIKeyZFWPWDZQPVIYCT-UHFFFAOYSA-N
XLogP4.86
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466407
N-[(5-bromo-2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208223
N-[(4-bromo-3-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103581556
2-bromo-6-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol
CID 61390451
N-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208228
N-[(5-bromo-2-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43324022
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104702264
N-[(2-bromo-5-chlorophenyl)methyl]cyclopentanamine
CID 66158673
N-[(2,3-dimethylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 54941936
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466418
N-[(4-cyclopropylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 79969251
N-[(2-methoxy-5-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43431605

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 66159670) is N-[(2-bromo-5-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is Clc1ccc(Br)c(CNC2CCCc3occc32)c1.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is ZFWPWDZQPVIYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c16-13-5-4-11(17)8-10(13)9-18-14-2-1-3-15-12(14)6-7-19-15/h4-8,14,18H,1-3,9H2.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-[(2-bromo-5-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 340.65 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 66159670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).