2-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]aniline

C17H18BrNO — CID 43762666

IUPAC2-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]aniline
SMILESCCC(Nc1ccccc1Br)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H18BrNO/c1-2-15(19-16-6-4-3-5-14(16)18)12-7-8-17-13(11-12)9-10-20-17/h3-8,11,15,19H,2,9-10H2,1H3
InChIKeyYSTCYXILRISMRF-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.95
Rot. Bonds4

About 2-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]aniline

2-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]aniline (PubChem CID 43762666) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]aniline
PubChem CID43762666
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name2-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]aniline
SMILESCCC(Nc1ccccc1Br)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H18BrNO/c1-2-15(19-16-6-4-3-5-14(16)18)12-7-8-17-13(11-12)9-10-20-17/h3-8,11,15,19H,2,9-10H2,1H3
InChIKeyYSTCYXILRISMRF-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylaniline
CID 43787901
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-iodo-2-methylaniline
CID 43785264
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-fluoro-2-iodoaniline
CID 79759306
N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43757036
2-(2-bromophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 104542648
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43768025
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43754954
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
CID 62693058
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)propan-1-amine
CID 43778443
N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732589

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]aniline?
The IUPAC name of 2-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]aniline (CID 43762666) is 2-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]aniline.
What is the SMILES notation for 2-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]aniline?
The canonical SMILES for 2-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]aniline is CCC(Nc1ccccc1Br)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]aniline?
The InChIKey is YSTCYXILRISMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-2-15(19-16-6-4-3-5-14(16)18)12-7-8-17-13(11-12)9-10-20-17/h3-8,11,15,19H,2,9-10H2,1H3.
What are the key properties of 2-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]aniline?
2-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]aniline has a molecular weight of 332.24 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]aniline is sourced from PubChem (CID 43762666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).