(2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine

C16H19NS — CID 102832882

IUPAC(2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESCc1sccc1C(N)C1CCc2ccccc2C1
InChIInChI=1S/C16H19NS/c1-11-15(8-9-18-11)16(17)14-7-6-12-4-2-3-5-13(12)10-14/h2-5,8-9,14,16H,6-7,10,17H2,1H3
InChIKeyJKLSMUPEKXFXCM-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.86
Rot. Bonds2

About (2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine

(2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (PubChem CID 102832882) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
PubChem CID102832882
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name(2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESCc1sccc1C(N)C1CCc2ccccc2C1
InChIInChI=1S/C16H19NS/c1-11-15(8-9-18-11)16(17)14-7-6-12-4-2-3-5-13(12)10-14/h2-5,8-9,14,16H,6-7,10,17H2,1H3
InChIKeyJKLSMUPEKXFXCM-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126582
(2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126557
(5-methylfuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126532
(2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine
CID 102832815
1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine
CID 107126496
(2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126530
(2-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126524
(5-bromo-2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 107127395
(5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 79743119
(5-methyl-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 115374693
ethane;2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 142915182
1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 91218484

Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The IUPAC name of (2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (CID 102832882) is (2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.
What is the SMILES notation for (2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The canonical SMILES for (2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is Cc1sccc1C(N)C1CCc2ccccc2C1.
What is the InChIKey of (2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The InChIKey is JKLSMUPEKXFXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-11-15(8-9-18-11)16(17)14-7-6-12-4-2-3-5-13(12)10-14/h2-5,8-9,14,16H,6-7,10,17H2,1H3.
What are the key properties of (2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
(2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine has a molecular weight of 257.40 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 102832882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).