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

C15H16BrNO — CID 43208228

IUPACN-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESBrc1ccc(CNC2CCCc3occc32)cc1
InChIInChI=1S/C15H16BrNO/c16-12-6-4-11(5-7-12)10-17-14-2-1-3-15-13(14)8-9-18-15/h4-9,14,17H,1-3,10H2
InChIKeyWHPBQCBZNUAGDV-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.21
Rot. Bonds3

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

N-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 43208228) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID43208228
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC NameN-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESBrc1ccc(CNC2CCCc3occc32)cc1
InChIInChI=1S/C15H16BrNO/c16-12-6-4-11(5-7-12)10-17-14-2-1-3-15-13(14)8-9-18-15/h4-9,14,17H,1-3,10H2
InChIKeyWHPBQCBZNUAGDV-UHFFFAOYSA-N
XLogP4.21
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyclopropylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 79969251
4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol
CID 43208224
N-[(4-bromo-3-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103581556
2-[4-[[[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]amino]methyl]phenyl]propan-2-ol
CID 129402709
N-[(5-bromo-2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208223
N-[(4-phenylmethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113221605
N-[(5-bromo-2-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43324022
N-[(1-methylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 66399566
N-(1,2-oxazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 106415750
N-[(2-bromo-5-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 66159670
2-bromo-6-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol
CID 61390451
N-[(6-methoxy-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466014

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 43208228) is N-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is Brc1ccc(CNC2CCCc3occc32)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is WHPBQCBZNUAGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c16-12-6-4-11(5-7-12)10-17-14-2-1-3-15-13(14)8-9-18-15/h4-9,14,17H,1-3,10H2.
What are the key properties of N-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 306.20 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 43208228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).