(6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine

C18H18FNS — CID 104990499

IUPAC(6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cc3ccc(F)cc3s2)cc1C
InChIInChI=1S/C18H18FNS/c1-10-6-12(3)15(7-11(10)2)18(20)17-8-13-4-5-14(19)9-16(13)21-17/h4-9,18H,20H2,1-3H3
InChIKeyZXKJYABGHXZGES-UHFFFAOYSA-N
MW299.41 g/mol
LogP5.01
Rot. Bonds2

About (6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine

(6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine (PubChem CID 104990499) has the molecular formula C18H18FNS and a molecular weight of 299.41 g/mol. Its IUPAC name is (6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
PubChem CID104990499
Molecular FormulaC18H18FNS
Molecular Weight299.41 g/mol
Exact Mass299.11
IUPAC Name(6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cc3ccc(F)cc3s2)cc1C
InChIInChI=1S/C18H18FNS/c1-10-6-12(3)15(7-11(10)2)18(20)17-8-13-4-5-14(19)9-16(13)21-17/h4-9,18H,20H2,1-3H3
InChIKeyZXKJYABGHXZGES-UHFFFAOYSA-N
XLogP5.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.41
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-2,5-dimethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81115671
(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81115142
(2,3-difluoro-4-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 107515550
(6-fluoro-1-benzothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine
CID 105006430
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81104853
(6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81115335
1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852529
(6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103135081
1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 114979546
(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81105622
2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105024539

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of (6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine (CID 104990499) is (6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for (6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for (6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2cc3ccc(F)cc3s2)cc1C.
What is the InChIKey of (6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is ZXKJYABGHXZGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNS/c1-10-6-12(3)15(7-11(10)2)18(20)17-8-13-4-5-14(19)9-16(13)21-17/h4-9,18H,20H2,1-3H3.
What are the key properties of (6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine?
(6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 299.41 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 104990499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).