(5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine

C16H23NS — CID 114377858

IUPAC(5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine
SMILESCC(C)c1c(CN)sc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C16H23NS/c1-10(2)15-12-8-11(16(3,4)5)6-7-13(12)18-14(15)9-17/h6-8,10H,9,17H2,1-5H3
InChIKeyIZSCZLLVKZMFLK-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.78
Rot. Bonds2

About (5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine

(5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine (PubChem CID 114377858) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is (5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine
PubChem CID114377858
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name(5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine
SMILESCC(C)c1c(CN)sc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C16H23NS/c1-10(2)15-12-8-11(16(3,4)5)6-7-13(12)18-14(15)9-17/h6-8,10H,9,17H2,1-5H3
InChIKeyIZSCZLLVKZMFLK-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine?
The IUPAC name of (5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine (CID 114377858) is (5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for (5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for (5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine is CC(C)c1c(CN)sc2ccc(C(C)(C)C)cc12.
What is the InChIKey of (5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine?
The InChIKey is IZSCZLLVKZMFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-10(2)15-12-8-11(16(3,4)5)6-7-13(12)18-14(15)9-17/h6-8,10H,9,17H2,1-5H3.
What are the key properties of (5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine?
(5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine has a molecular weight of 261.43 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 114377858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).