(4-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine

C18H21NOS — CID 105188419

IUPAC(4-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
SMILESNC(c1ccc(OC2CC2)cc1)C1CCCc2sccc21
InChIInChI=1S/C18H21NOS/c19-18(16-2-1-3-17-15(16)10-11-21-17)12-4-6-13(7-5-12)20-14-8-9-14/h4-7,10-11,14,16,18H,1-3,8-9,19H2
InChIKeyWTTIALSLKNVUJO-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.41
Rot. Bonds4

About (4-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine

(4-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine (PubChem CID 105188419) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
PubChem CID105188419
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name(4-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
SMILESNC(c1ccc(OC2CC2)cc1)C1CCCc2sccc21
InChIInChI=1S/C18H21NOS/c19-18(16-2-1-3-17-15(16)10-11-21-17)12-4-6-13(7-5-12)20-14-8-9-14/h4-7,10-11,14,16,18H,1-3,8-9,19H2
InChIKeyWTTIALSLKNVUJO-UHFFFAOYSA-N
XLogP4.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)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-chloro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105164498
(4-ethoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105092056
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-amine
CID 105083065
cycloheptyl-(4-cyclopropyloxyphenyl)methanamine
CID 114519512
(1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105103598
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-1-amine
CID 105124704
N-[(4-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]ethanamine
CID 105095566
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hex-5-yn-1-amine
CID 105179531
(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 114519731
2-(4-methylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105088537
(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 106883693
4,5,6,7-tetrahydro-1-benzothiophen-4-yl-[4-(trifluoromethyl)phenyl]methanol
CID 105093679

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
The IUPAC name of (4-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine (CID 105188419) is (4-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine is NC(c1ccc(OC2CC2)cc1)C1CCCc2sccc21.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
The InChIKey is WTTIALSLKNVUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c19-18(16-2-1-3-17-15(16)10-11-21-17)12-4-6-13(7-5-12)20-14-8-9-14/h4-7,10-11,14,16,18H,1-3,8-9,19H2.
What are the key properties of (4-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
(4-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine has a molecular weight of 299.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine is sourced from PubChem (CID 105188419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).