(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine

C17H20FNS — CID 106883693

IUPAC(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
SMILESCc1cc(C)c(C(N)C2CCCc3sccc32)c(F)c1
InChIInChI=1S/C17H20FNS/c1-10-8-11(2)16(14(18)9-10)17(19)13-4-3-5-15-12(13)6-7-20-15/h6-9,13,17H,3-5,19H2,1-2H3
InChIKeyQXEKYLYVPHVPNS-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.62
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine

(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine (PubChem CID 106883693) has the molecular formula C17H20FNS and a molecular weight of 289.42 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
PubChem CID106883693
Molecular FormulaC17H20FNS
Molecular Weight289.42 g/mol
Exact Mass289.13
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
SMILESCc1cc(C)c(C(N)C2CCCc3sccc32)c(F)c1
InChIInChI=1S/C17H20FNS/c1-10-8-11(2)16(14(18)9-10)17(19)13-4-3-5-15-12(13)6-7-20-15/h6-9,13,17H,3-5,19H2,1-2H3
InChIKeyQXEKYLYVPHVPNS-UHFFFAOYSA-N
XLogP4.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine with MolForge

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Launch Full Analysis

Related Compounds

(2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106881515
[(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine
CID 105308080
2-(4-methylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105088537
2-(3-methylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105091084
(1S)-1-[(4S)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-4-yl]ethanamine
CID 129016132
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-amine
CID 105083065
(1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881778
[4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312899
(4-chloro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105164498
2-(5-bromo-2-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105131837
1-(3,4-difluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105145687
(2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine
CID 106881667

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine (CID 106883693) is (2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine is Cc1cc(C)c(C(N)C2CCCc3sccc32)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
The InChIKey is QXEKYLYVPHVPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNS/c1-10-8-11(2)16(14(18)9-10)17(19)13-4-3-5-15-12(13)6-7-20-15/h6-9,13,17H,3-5,19H2,1-2H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine has a molecular weight of 289.42 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine is sourced from PubChem (CID 106883693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).