N-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine

C17H25NS — CID 114378175

IUPACN-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)sc2cc(C)c(C)cc12
InChIInChI=1S/C17H25NS/c1-6-7-14-15-8-12(4)13(5)9-16(15)19-17(14)10-18-11(2)3/h8-9,11,18H,6-7,10H2,1-5H3
InChIKeyHIBQYXNDGNCHEN-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.97
Rot. Bonds5

About N-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine

N-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine (PubChem CID 114378175) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is N-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
PubChem CID114378175
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC NameN-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)sc2cc(C)c(C)cc12
InChIInChI=1S/C17H25NS/c1-6-7-14-15-8-12(4)13(5)9-16(15)19-17(14)10-18-11(2)3/h8-9,11,18H,6-7,10H2,1-5H3
InChIKeyHIBQYXNDGNCHEN-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378013
N-[(5,7-difluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378266
N-[(7-fluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378107
N-[(5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 114378165
N-[(3-ethyl-5,7-dimethyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 104843316
N-[(3-methyl-5-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 81049832
N-ethyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)ethanamine
CID 61281130
N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine
CID 81047775
(5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine
CID 114378180
N-[[3-(propoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
CID 62451509
N-[(5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114377863
(5,6-difluoro-3-propyl-1-benzothiophen-2-yl)methanamine
CID 114378284

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine (CID 114378175) is N-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine is CCCc1c(CNC(C)C)sc2cc(C)c(C)cc12.
What is the InChIKey of N-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine?
The InChIKey is HIBQYXNDGNCHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-6-7-14-15-8-12(4)13(5)9-16(15)19-17(14)10-18-11(2)3/h8-9,11,18H,6-7,10H2,1-5H3.
What are the key properties of N-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine?
N-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine has a molecular weight of 275.46 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 114378175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).