N-[(5-bromothiophen-2-yl)methyl]-1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanamine

C14H13BrClNOS — CID 66394141

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESClc1ccc2c(c1)CC(CNCc1ccc(Br)s1)O2
InChIInChI=1S/C14H13BrClNOS/c15-14-4-2-12(19-14)8-17-7-11-6-9-5-10(16)1-3-13(9)18-11/h1-5,11,17H,6-8H2
InChIKeyYZHJWWZRPLULCI-UHFFFAOYSA-N
MW358.69 g/mol
LogP4.26
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanamine

N-[(5-bromothiophen-2-yl)methyl]-1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanamine (PubChem CID 66394141) has the molecular formula C14H13BrClNOS and a molecular weight of 358.69 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanamine
PubChem CID66394141
Molecular FormulaC14H13BrClNOS
Molecular Weight358.69 g/mol
Exact Mass356.96
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESClc1ccc2c(c1)CC(CNCc1ccc(Br)s1)O2
InChIInChI=1S/C14H13BrClNOS/c15-14-4-2-12(19-14)8-17-7-11-6-9-5-10(16)1-3-13(9)18-11/h1-5,11,17H,6-8H2
InChIKeyYZHJWWZRPLULCI-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.69
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 54895688
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine
CID 66391607
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
CID 66393777
4-[[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381124
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 106398513
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine
CID 113466476
N-[(5-ethylthiophen-2-yl)methyl]-1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 106010977
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
CID 66394858
3-[[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]pentan-3-ol
CID 66393011
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-3-ylethanamine
CID 66391231
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107418275
[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 40566108

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanamine (CID 66394141) is N-[(5-bromothiophen-2-yl)methyl]-1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanamine is Clc1ccc2c(c1)CC(CNCc1ccc(Br)s1)O2.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanamine?
The InChIKey is YZHJWWZRPLULCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNOS/c15-14-4-2-12(19-14)8-17-7-11-6-9-5-10(16)1-3-13(9)18-11/h1-5,11,17H,6-8H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanamine?
N-[(5-bromothiophen-2-yl)methyl]-1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanamine has a molecular weight of 358.69 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 66394141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).