N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-thiophen-2-ylmethyl]propan-1-amine

C16H18BrNOS — CID 104541897

IUPACN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H18BrNOS/c1-2-6-18-15(14-4-3-8-20-14)13-10-12(17)9-11-5-7-19-16(11)13/h3-4,8-10,15,18H,2,5-7H2,1H3
InChIKeyLZRBUZHPPUTWEO-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.53
Rot. Bonds5

About N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-thiophen-2-ylmethyl]propan-1-amine

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-thiophen-2-ylmethyl]propan-1-amine (PubChem CID 104541897) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-thiophen-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-thiophen-2-ylmethyl]propan-1-amine
PubChem CID104541897
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC NameN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H18BrNOS/c1-2-6-18-15(14-4-3-8-20-14)13-10-12(17)9-11-5-7-19-16(11)13/h3-4,8-10,15,18H,2,5-7H2,1H3
InChIKeyLZRBUZHPPUTWEO-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-thiophen-2-ylmethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 104541898
N-[(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
CID 114745411
N-[(5-bromothiophen-2-yl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
CID 104545690
N-[(2,5-dibromothiophen-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43497839
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-chlorophenyl)methyl]ethanamine
CID 104541804
N-[(4-bromophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
CID 114744925
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-phenylmethyl]propan-1-amine
CID 104545696
N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43494486
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-ethylthiophen-2-yl)methanamine
CID 104541518
N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989890
5-bromo-7-[bromo-(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 104543607
7-[bromo(thiophen-2-yl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544052

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-thiophen-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-thiophen-2-ylmethyl]propan-1-amine (CID 104541897) is N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-thiophen-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-thiophen-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-thiophen-2-ylmethyl]propan-1-amine is CCCNC(c1cccs1)c1cc(Br)cc2c1OCC2.
What is the InChIKey of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-thiophen-2-ylmethyl]propan-1-amine?
The InChIKey is LZRBUZHPPUTWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-2-6-18-15(14-4-3-8-20-14)13-10-12(17)9-11-5-7-19-16(11)13/h3-4,8-10,15,18H,2,5-7H2,1H3.
What are the key properties of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-thiophen-2-ylmethyl]propan-1-amine?
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-thiophen-2-ylmethyl]propan-1-amine has a molecular weight of 352.30 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-thiophen-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 104541897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).