(5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine

C14H19NS — CID 114378180

IUPAC(5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine
SMILESCc1cc2sc(CN)c(C(C)C)c2cc1C
InChIInChI=1S/C14H19NS/c1-8(2)14-11-5-9(3)10(4)6-12(11)16-13(14)7-15/h5-6,8H,7,15H2,1-4H3
InChIKeyFMMAZJJIGVETPS-UHFFFAOYSA-N
MW233.38 g/mol
LogP4.10
Rot. Bonds2

About (5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine

(5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine (PubChem CID 114378180) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is (5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine
PubChem CID114378180
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name(5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine
SMILESCc1cc2sc(CN)c(C(C)C)c2cc1C
InChIInChI=1S/C14H19NS/c1-8(2)14-11-5-9(3)10(4)6-12(11)16-13(14)7-15/h5-6,8H,7,15H2,1-4H3
InChIKeyFMMAZJJIGVETPS-UHFFFAOYSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine?
The IUPAC name of (5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine (CID 114378180) is (5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for (5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for (5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine is Cc1cc2sc(CN)c(C(C)C)c2cc1C.
What is the InChIKey of (5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine?
The InChIKey is FMMAZJJIGVETPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-8(2)14-11-5-9(3)10(4)6-12(11)16-13(14)7-15/h5-6,8H,7,15H2,1-4H3.
What are the key properties of (5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine?
(5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine has a molecular weight of 233.38 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 114378180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).