(5-fluoro-1-benzothiophen-2-yl)-(3-propylphenyl)methanamine

C18H18FNS — CID 105187860

IUPAC(5-fluoro-1-benzothiophen-2-yl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2cc3cc(F)ccc3s2)c1
InChIInChI=1S/C18H18FNS/c1-2-4-12-5-3-6-13(9-12)18(20)17-11-14-10-15(19)7-8-16(14)21-17/h3,5-11,18H,2,4,20H2,1H3
InChIKeyAIHMGCHZDSLQLE-UHFFFAOYSA-N
MW299.41 g/mol
LogP5.04
Rot. Bonds4

About (5-fluoro-1-benzothiophen-2-yl)-(3-propylphenyl)methanamine

(5-fluoro-1-benzothiophen-2-yl)-(3-propylphenyl)methanamine (PubChem CID 105187860) has the molecular formula C18H18FNS and a molecular weight of 299.41 g/mol. Its IUPAC name is (5-fluoro-1-benzothiophen-2-yl)-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name(5-fluoro-1-benzothiophen-2-yl)-(3-propylphenyl)methanamine
PubChem CID105187860
Molecular FormulaC18H18FNS
Molecular Weight299.41 g/mol
Exact Mass299.11
IUPAC Name(5-fluoro-1-benzothiophen-2-yl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2cc3cc(F)ccc3s2)c1
InChIInChI=1S/C18H18FNS/c1-2-4-12-5-3-6-13(9-12)18(20)17-11-14-10-15(19)7-8-16(14)21-17/h3,5-11,18H,2,4,20H2,1H3
InChIKeyAIHMGCHZDSLQLE-UHFFFAOYSA-N
XLogP5.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-fluoro-1-benzothiophen-2-yl)-(3-propylphenyl)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

(5-fluoro-1-benzothiophen-2-yl)-(4-propylphenyl)methanamine
CID 105144310
(5-fluoro-1-benzothiophen-2-yl)-phenylmethanamine
CID 105083659
(3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine
CID 105141971
1-(5-fluoro-1-benzothiophen-2-yl)hexan-1-amine
CID 105129507
(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268334
(4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81104853
(4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine
CID 105050580
(2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine
CID 105050249
[(5-fluoro-1-benzothiophen-2-yl)-(3-methylphenyl)methyl]hydrazine
CID 105284893
1-(3-propylphenyl)ethanamine
CID 116543909
(3-propylphenyl)-thiophen-3-ylmethanamine
CID 116543884
(2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine
CID 105050408

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-(3-propylphenyl)methanamine?
The IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-(3-propylphenyl)methanamine (CID 105187860) is (5-fluoro-1-benzothiophen-2-yl)-(3-propylphenyl)methanamine.
What is the SMILES notation for (5-fluoro-1-benzothiophen-2-yl)-(3-propylphenyl)methanamine?
The canonical SMILES for (5-fluoro-1-benzothiophen-2-yl)-(3-propylphenyl)methanamine is CCCc1cccc(C(N)c2cc3cc(F)ccc3s2)c1.
What is the InChIKey of (5-fluoro-1-benzothiophen-2-yl)-(3-propylphenyl)methanamine?
The InChIKey is AIHMGCHZDSLQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNS/c1-2-4-12-5-3-6-13(9-12)18(20)17-11-14-10-15(19)7-8-16(14)21-17/h3,5-11,18H,2,4,20H2,1H3.
What are the key properties of (5-fluoro-1-benzothiophen-2-yl)-(3-propylphenyl)methanamine?
(5-fluoro-1-benzothiophen-2-yl)-(3-propylphenyl)methanamine has a molecular weight of 299.41 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzothiophen-2-yl)-(3-propylphenyl)methanamine is sourced from PubChem (CID 105187860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).