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

C19H19NS — CID 105052203

IUPAC1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanamine
SMILESNC(c1ccccc1C1CCC1)c1csc2ccccc12
InChIInChI=1S/C19H19NS/c20-19(17-12-21-18-11-4-3-9-15(17)18)16-10-2-1-8-14(16)13-6-5-7-13/h1-4,8-13,19H,5-7,20H2
InChIKeyRZSBCTCCVZNYBX-UHFFFAOYSA-N
MW293.44 g/mol
LogP5.22
Rot. Bonds3

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

1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanamine (PubChem CID 105052203) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanamine
PubChem CID105052203
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanamine
SMILESNC(c1ccccc1C1CCC1)c1csc2ccccc12
InChIInChI=1S/C19H19NS/c20-19(17-12-21-18-11-4-3-9-15(17)18)16-10-2-1-8-14(16)13-6-5-7-13/h1-4,8-13,19H,5-7,20H2
InChIKeyRZSBCTCCVZNYBX-UHFFFAOYSA-N
XLogP5.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.44
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanol
CID 114601265
(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine
CID 114604077
(S)-1-benzothiophen-3-yl(cyclopentyl)methanamine
CID 93025479
(S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride
CID 171224597
(S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride
CID 171224599
1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine
CID 55101865
(2-cyclobutylphenyl)-(1,3-thiazol-4-yl)methanamine
CID 114604148
(2-cyclobutylphenyl)-pyridin-4-ylmethanamine
CID 114602569
1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 104990399
(2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 114602556
(2-cyclobutylphenyl)-(4-methylphenyl)methanamine
CID 114602558
(2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine
CID 107946938

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanamine?
The IUPAC name of 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanamine (CID 105052203) is 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanamine.
What is the SMILES notation for 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanamine?
The canonical SMILES for 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanamine is NC(c1ccccc1C1CCC1)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanamine?
The InChIKey is RZSBCTCCVZNYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c20-19(17-12-21-18-11-4-3-9-15(17)18)16-10-2-1-8-14(16)13-6-5-7-13/h1-4,8-13,19H,5-7,20H2.
What are the key properties of 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanamine?
1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanamine has a molecular weight of 293.44 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanamine is sourced from PubChem (CID 105052203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).