2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine

C18H21NS — CID 105144289

IUPAC2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(N)C2Cc3ccccc3S2)cc1
InChIInChI=1S/C18H21NS/c1-2-5-13-8-10-14(11-9-13)18(19)17-12-15-6-3-4-7-16(15)20-17/h3-4,6-11,17-18H,2,5,12,19H2,1H3
InChIKeyRNZFIDOVXMJPLD-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.36
Rot. Bonds4

About 2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine

2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine (PubChem CID 105144289) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine
PubChem CID105144289
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(N)C2Cc3ccccc3S2)cc1
InChIInChI=1S/C18H21NS/c1-2-5-13-8-10-14(11-9-13)18(19)17-12-15-6-3-4-7-16(15)20-17/h3-4,6-11,17-18H,2,5,12,19H2,1H3
InChIKeyRNZFIDOVXMJPLD-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine
CID 105087837
2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine
CID 105096694
(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 105145502
2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine
CID 105098031
N-[2-methyl-1-(4-propylphenyl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18272245
2,3-dihydro-1-benzothiophen-2-yl-(3-ethyltriazol-4-yl)methanamine
CID 114213470
cyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 106657385
1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine
CID 114285063
N-[(4-chlorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 105076227
N-[2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylphenyl)methyl]ethanamine
CID 105140323
1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine
CID 105168564
azetidin-3-yl-(4-propylphenyl)methanamine
CID 116935291

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine (CID 105144289) is 2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine is CCCc1ccc(C(N)C2Cc3ccccc3S2)cc1.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine?
The InChIKey is RNZFIDOVXMJPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-2-5-13-8-10-14(11-9-13)18(19)17-12-15-6-3-4-7-16(15)20-17/h3-4,6-11,17-18H,2,5,12,19H2,1H3.
What are the key properties of 2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine?
2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine has a molecular weight of 283.44 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine is sourced from PubChem (CID 105144289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).