N-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine

C18H18FNS — CID 43497207

IUPACN-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1csc2ccccc12
InChIInChI=1S/C18H18FNS/c1-2-11-20-18(13-7-9-14(19)10-8-13)16-12-21-17-6-4-3-5-15(16)17/h3-10,12,18,20H,2,11H2,1H3
InChIKeyFWUNQIQOUVFWDP-UHFFFAOYSA-N
MW299.41 g/mol
LogP5.13
Rot. Bonds5

About N-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine

N-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine (PubChem CID 43497207) has the molecular formula C18H18FNS and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine
PubChem CID43497207
Molecular FormulaC18H18FNS
Molecular Weight299.41 g/mol
Exact Mass299.11
IUPAC NameN-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1csc2ccccc12
InChIInChI=1S/C18H18FNS/c1-2-11-20-18(13-7-9-14(19)10-8-13)16-12-21-17-6-4-3-5-15(16)17/h3-10,12,18,20H,2,11H2,1H3
InChIKeyFWUNQIQOUVFWDP-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.41
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-benzothiophen-3-yl-(4-bromophenyl)methyl]ethanamine
CID 43492345
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
N-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 79973512
N-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 106684309
1-(1-benzothiophen-3-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79660798
N-[(4-fluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 79214264
N-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine
CID 43492304
N-[1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 105396957
N-[1-benzothiophen-3-yl-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 115861242
N-[1-benzothiophen-3-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 80533744
1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine
CID 104995348
1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine
CID 43497176

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine (CID 43497207) is N-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1)c1csc2ccccc12.
What is the InChIKey of N-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine?
The InChIKey is FWUNQIQOUVFWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNS/c1-2-11-20-18(13-7-9-14(19)10-8-13)16-12-21-17-6-4-3-5-15(16)17/h3-10,12,18,20H,2,11H2,1H3.
What are the key properties of N-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine?
N-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43497207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).