N-[(3,4-difluorophenyl)methyl]-7-methoxy-1-benzothiophen-2-amine

C16H13F2NOS — CID 143748302

IUPACN-[(3,4-difluorophenyl)methyl]-7-methoxy-1-benzothiophen-2-amine
SMILESCOc1cccc2cc(NCc3ccc(F)c(F)c3)sc12
InChIInChI=1S/C16H13F2NOS/c1-20-14-4-2-3-11-8-15(21-16(11)14)19-9-10-5-6-12(17)13(18)7-10/h2-8,19H,9H2,1H3
InChIKeyIFNSATUOMROUJC-UHFFFAOYSA-N
MW305.35 g/mol
LogP4.80
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-7-methoxy-1-benzothiophen-2-amine

N-[(3,4-difluorophenyl)methyl]-7-methoxy-1-benzothiophen-2-amine (PubChem CID 143748302) has the molecular formula C16H13F2NOS and a molecular weight of 305.35 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-7-methoxy-1-benzothiophen-2-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-7-methoxy-1-benzothiophen-2-amine
PubChem CID143748302
Molecular FormulaC16H13F2NOS
Molecular Weight305.35 g/mol
Exact Mass305.07
IUPAC NameN-[(3,4-difluorophenyl)methyl]-7-methoxy-1-benzothiophen-2-amine
SMILESCOc1cccc2cc(NCc3ccc(F)c(F)c3)sc12
InChIInChI=1S/C16H13F2NOS/c1-20-14-4-2-3-11-8-15(21-16(11)14)19-9-10-5-6-12(17)13(18)7-10/h2-8,19H,9H2,1H3
InChIKeyIFNSATUOMROUJC-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-2-yl)-N-[(4-fluoro-3-methoxyphenyl)methyl]ethanesulfonamide
CID 66907199
N-[(3-fluoro-4-methoxyphenyl)methyl]dibenzothiophen-2-amine
CID 22664042
N-[(3,4-difluorophenyl)methyl]-N-(7-methoxy-1-benzothiophen-2-yl)benzenesulfonamide
CID 57920383
3-chloro-N-[(3,4-difluorophenyl)methyl]-7-methoxy-1-benzothiophen-2-amine
CID 68192154
3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-benzothiophen-2-amine
CID 68563850
CID 88867223
CID 88867223
1-Pentyl-1-[7-(trifluoromethoxy)-1-benzothiophen-2-yl]imidazol-1-ium
CID 90391149
1-pentyl-3-[7-(trifluoromethoxy)-1-benzothiophen-2-yl]-2H-imidazole
CID 90391150
7-fluoro-N-[(4-methoxyphenyl)methyl]-1-benzothiophen-3-amine
CID 118332652
methanol;3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-benzothiophen-2-amine
CID 144026246
3,3-difluoro-1-propylpiperidine;3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-benzothiophen-2-amine
CID 144026247
butane;ethane;hexane;3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-benzothiophen-2-amine;molecular fluorine
CID 144026257

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-7-methoxy-1-benzothiophen-2-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-7-methoxy-1-benzothiophen-2-amine (CID 143748302) is N-[(3,4-difluorophenyl)methyl]-7-methoxy-1-benzothiophen-2-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-7-methoxy-1-benzothiophen-2-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-7-methoxy-1-benzothiophen-2-amine is COc1cccc2cc(NCc3ccc(F)c(F)c3)sc12.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-7-methoxy-1-benzothiophen-2-amine?
The InChIKey is IFNSATUOMROUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NOS/c1-20-14-4-2-3-11-8-15(21-16(11)14)19-9-10-5-6-12(17)13(18)7-10/h2-8,19H,9H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-7-methoxy-1-benzothiophen-2-amine?
N-[(3,4-difluorophenyl)methyl]-7-methoxy-1-benzothiophen-2-amine has a molecular weight of 305.35 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-7-methoxy-1-benzothiophen-2-amine is sourced from PubChem (CID 143748302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).