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

C16H23NS — CID 114377842

IUPAC(5-tert-butyl-3-propyl-1-benzothiophen-2-yl)methanamine
SMILESCCCc1c(CN)sc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C16H23NS/c1-5-6-12-13-9-11(16(2,3)4)7-8-14(13)18-15(12)10-17/h7-9H,5-6,10,17H2,1-4H3
InChIKeyQGNOOSZKRCHNDQ-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.61
Rot. Bonds3

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

(5-tert-butyl-3-propyl-1-benzothiophen-2-yl)methanamine (PubChem CID 114377842) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is (5-tert-butyl-3-propyl-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-tert-butyl-3-propyl-1-benzothiophen-2-yl)methanamine
PubChem CID114377842
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name(5-tert-butyl-3-propyl-1-benzothiophen-2-yl)methanamine
SMILESCCCc1c(CN)sc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C16H23NS/c1-5-6-12-13-9-11(16(2,3)4)7-8-14(13)18-15(12)10-17/h7-9H,5-6,10,17H2,1-4H3
InChIKeyQGNOOSZKRCHNDQ-UHFFFAOYSA-N
XLogP4.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine
CID 114377858
(5,6-difluoro-3-propyl-1-benzothiophen-2-yl)methanamine
CID 114378284
(6-fluoro-3-propyl-1-benzothiophen-2-yl)methanamine
CID 102972343
6-tert-butyl-1,2,3,4-tetrapropylnaphthalene
CID 101211334
1-(5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)-N-methylmethanamine
CID 114377850
N-[(5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114377863
2-(5-tert-butyl-3-methyl-1-benzothiophen-2-yl)acetic acid
CID 84742718
(5-tert-butyl-1-benzothiophen-2-yl)methanamine
CID 84740294
N-[(5-tert-butyl-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 81049637
N-(4-tert-butylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500865
2-tert-butylthioxanthen-9-one
CID 15593710
2-(3,6-ditert-butylcarbazol-9-yl)-4,6-dipropylbenzene-1,3,5-tricarbonitrile
CID 121407193

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-3-propyl-1-benzothiophen-2-yl)methanamine?
The IUPAC name of (5-tert-butyl-3-propyl-1-benzothiophen-2-yl)methanamine (CID 114377842) is (5-tert-butyl-3-propyl-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for (5-tert-butyl-3-propyl-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for (5-tert-butyl-3-propyl-1-benzothiophen-2-yl)methanamine is CCCc1c(CN)sc2ccc(C(C)(C)C)cc12.
What is the InChIKey of (5-tert-butyl-3-propyl-1-benzothiophen-2-yl)methanamine?
The InChIKey is QGNOOSZKRCHNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-5-6-12-13-9-11(16(2,3)4)7-8-14(13)18-15(12)10-17/h7-9H,5-6,10,17H2,1-4H3.
What are the key properties of (5-tert-butyl-3-propyl-1-benzothiophen-2-yl)methanamine?
(5-tert-butyl-3-propyl-1-benzothiophen-2-yl)methanamine has a molecular weight of 261.43 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-3-propyl-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 114377842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).