N-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine

C18H18FNS — CID 115851962

IUPACN-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2s1)c1cc(F)ccc1C
InChIInChI=1S/C18H18FNS/c1-3-20-18(15-11-14(19)9-8-12(15)2)17-10-13-6-4-5-7-16(13)21-17/h4-11,18,20H,3H2,1-2H3
InChIKeyWIFDPSSHACMBNY-UHFFFAOYSA-N
MW299.41 g/mol
LogP5.05
Rot. Bonds4

About N-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine

N-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine (PubChem CID 115851962) has the molecular formula C18H18FNS and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine
PubChem CID115851962
Molecular FormulaC18H18FNS
Molecular Weight299.41 g/mol
Exact Mass299.11
IUPAC NameN-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2s1)c1cc(F)ccc1C
InChIInChI=1S/C18H18FNS/c1-3-20-18(15-11-14(19)9-8-12(15)2)17-10-13-6-4-5-7-16(13)21-17/h4-11,18,20H,3H2,1-2H3
InChIKeyWIFDPSSHACMBNY-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.41
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine
CID 105099912
N-[1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102840880
N-[(5-bromo-4-chlorothiophen-2-yl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 80531167
[1-benzothiophen-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302449
N-[1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 63507972
N-[(4,5-dimethylthiophen-2-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 115851788
1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105396900
N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 62388086
N-[1-benzothiophen-2-yl-(3-bromo-4-fluorophenyl)methyl]ethanamine
CID 79722957
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852042
N-[(5-fluoro-2-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 63048599
N-[(5-fluoro-2-methylphenyl)-pyridin-2-ylmethyl]ethanamine
CID 62791700

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine (CID 115851962) is N-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine is CCNC(c1cc2ccccc2s1)c1cc(F)ccc1C.
What is the InChIKey of N-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine?
The InChIKey is WIFDPSSHACMBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNS/c1-3-20-18(15-11-14(19)9-8-12(15)2)17-10-13-6-4-5-7-16(13)21-17/h4-11,18,20H,3H2,1-2H3.
What are the key properties of N-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine?
N-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine has a molecular weight of 299.41 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 115851962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).