1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine

C18H19NOS — CID 105035778

IUPAC1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1csc2ccccc12
InChIInChI=1S/C18H19NOS/c1-2-11-20-16-9-5-3-8-14(16)18(19)15-12-21-17-10-6-4-7-13(15)17/h3-10,12,18H,2,11,19H2,1H3
InChIKeyLMBFTYMCLLMDGB-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.74
Rot. Bonds5

About 1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine

1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine (PubChem CID 105035778) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine
PubChem CID105035778
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1csc2ccccc12
InChIInChI=1S/C18H19NOS/c1-2-11-20-16-9-5-3-8-14(16)18(19)15-12-21-17-10-6-4-7-13(15)17/h3-10,12,18H,2,11,19H2,1H3
InChIKeyLMBFTYMCLLMDGB-UHFFFAOYSA-N
XLogP4.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-3-yl-(2-propoxyphenyl)methanol
CID 104658650
(3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 103407260
(2-ethylphenyl)-(2-propoxyphenyl)methanamine
CID 105035937
1-benzothiophen-3-yl-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024860
(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 104660036
1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 104990399
(5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036006
(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035938
(2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036012
(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
CID 175653806
2-fluoro-2-(2-propoxyphenyl)ethanamine
CID 104663546
1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine
CID 55101865

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine?
The IUPAC name of 1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine (CID 105035778) is 1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine.
What is the SMILES notation for 1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine?
The canonical SMILES for 1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine is CCCOc1ccccc1C(N)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine?
The InChIKey is LMBFTYMCLLMDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-2-11-20-16-9-5-3-8-14(16)18(19)15-12-21-17-10-6-4-7-13(15)17/h3-10,12,18H,2,11,19H2,1H3.
What are the key properties of 1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine?
1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine has a molecular weight of 297.42 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine is sourced from PubChem (CID 105035778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).