N-[(3-fluoro-4-methoxyphenyl)methyl]dibenzothiophen-2-amine

C20H16FNOS — CID 22664042

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]dibenzothiophen-2-amine
SMILESCOc1ccc(CNc2ccc3sc4ccccc4c3c2)cc1F
InChIInChI=1S/C20H16FNOS/c1-23-18-8-6-13(10-17(18)21)12-22-14-7-9-20-16(11-14)15-4-2-3-5-19(15)24-20/h2-11,22H,12H2,1H3
InChIKeySASMFXWMFUEKIO-UHFFFAOYSA-N
MW337.42 g/mol
LogP5.81
Rot. Bonds4

About N-[(3-fluoro-4-methoxyphenyl)methyl]dibenzothiophen-2-amine

N-[(3-fluoro-4-methoxyphenyl)methyl]dibenzothiophen-2-amine (PubChem CID 22664042) has the molecular formula C20H16FNOS and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]dibenzothiophen-2-amine
PubChem CID22664042
Molecular FormulaC20H16FNOS
Molecular Weight337.42 g/mol
Exact Mass337.09
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]dibenzothiophen-2-amine
SMILESCOc1ccc(CNc2ccc3sc4ccccc4c3c2)cc1F
InChIInChI=1S/C20H16FNOS/c1-23-18-8-6-13(10-17(18)21)12-22-14-7-9-20-16(11-14)15-4-2-3-5-19(15)24-20/h2-11,22H,12H2,1H3
InChIKeySASMFXWMFUEKIO-UHFFFAOYSA-N
XLogP5.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzothiophen-5-yl]morpholine
CID 24818801
4-[(E)-2-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]ethenyl]aniline
CID 25058308
N-(2-fluoroethyl)-4-(5-(4-methoxyphenyl)thiophen-2-yl)benzenamine
CID 44408848
4-(dimethylamino)-N-(3-methyl-1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 57920527
4-[3-(3-Fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophen-5-yl]morpholine
CID 24818802
1-[2-(4-Methoxyphenyl)-1-benzothiophen-3-yl]piperidine
CID 12190200
N-(4-methoxyphenyl)-2,3-dimethyl-1-benzothiophen-7-amine
CID 16721089
N-(3-methoxyphenyl)-2,3-dimethyl-1-benzothiophen-7-amine
CID 44428618
4-methoxy-N-[2-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-2-phenylethyl]aniline
CID 102309825
2-(1-benzothiophen-3-yl)-N-[(4-methoxyphenyl)methyl]aniline
CID 139252446
(2-fluorophenyl) N-[3-(1-butylpiperidin-4-yl)-1-benzothiophen-5-yl]carbamate
CID 19064651
N-(1-benzothiophen-5-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 44467022

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]dibenzothiophen-2-amine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]dibenzothiophen-2-amine (CID 22664042) is N-[(3-fluoro-4-methoxyphenyl)methyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]dibenzothiophen-2-amine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]dibenzothiophen-2-amine is COc1ccc(CNc2ccc3sc4ccccc4c3c2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]dibenzothiophen-2-amine?
The InChIKey is SASMFXWMFUEKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNOS/c1-23-18-8-6-13(10-17(18)21)12-22-14-7-9-20-16(11-14)15-4-2-3-5-19(15)24-20/h2-11,22H,12H2,1H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]dibenzothiophen-2-amine?
N-[(3-fluoro-4-methoxyphenyl)methyl]dibenzothiophen-2-amine has a molecular weight of 337.42 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]dibenzothiophen-2-amine is sourced from PubChem (CID 22664042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).