N-[(4-bromophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine

C18H20BrNO — CID 114744925

IUPACN-[(4-bromophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1)c1cccc2c1OCC2
InChIInChI=1S/C18H20BrNO/c1-2-11-20-17(13-6-8-15(19)9-7-13)16-5-3-4-14-10-12-21-18(14)16/h3-9,17,20H,2,10-12H2,1H3
InChIKeyXXAKNBXBIOKBGM-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.47
Rot. Bonds5

About N-[(4-bromophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine

N-[(4-bromophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine (PubChem CID 114744925) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
PubChem CID114744925
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-[(4-bromophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1)c1cccc2c1OCC2
InChIInChI=1S/C18H20BrNO/c1-2-11-20-17(13-6-8-15(19)9-7-13)16-5-3-4-14-10-12-21-18(14)16/h3-9,17,20H,2,10-12H2,1H3
InChIKeyXXAKNBXBIOKBGM-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,3-dihydro-1-benzofuran-7-yl(pyridin-4-yl)methyl]propan-1-amine
CID 114744963
N-[(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
CID 114744924
N-[(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
CID 114745411
N-[(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine
CID 105187326
N-[3,4-dihydro-2H-chromen-8-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105187275
N-[2,3-dihydro-1-benzofuran-7-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 114745818
N-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine
CID 114745895
N-[2,3-dihydro-1-benzofuran-7-yl-(3,5-dimethylphenyl)methyl]ethanamine
CID 105053520
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-phenylmethyl]propan-1-amine
CID 104545696
N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine
CID 114745074
N-[2,3-dihydro-1-benzofuran-7-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923948
N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine
CID 114744929

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine (CID 114744925) is N-[(4-bromophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine is CCCNC(c1ccc(Br)cc1)c1cccc2c1OCC2.
What is the InChIKey of N-[(4-bromophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine?
The InChIKey is XXAKNBXBIOKBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-2-11-20-17(13-6-8-15(19)9-7-13)16-5-3-4-14-10-12-21-18(14)16/h3-9,17,20H,2,10-12H2,1H3.
What are the key properties of N-[(4-bromophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine?
N-[(4-bromophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine has a molecular weight of 346.27 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine is sourced from PubChem (CID 114744925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).