1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine

C17H20ClNS — CID 107126590

IUPAC1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESCNC(c1cc(C)c(Cl)s1)C1CCc2ccccc2C1
InChIInChI=1S/C17H20ClNS/c1-11-9-15(20-17(11)18)16(19-2)14-8-7-12-5-3-4-6-13(12)10-14/h3-6,9,14,16,19H,7-8,10H2,1-2H3
InChIKeyFBICRMMSHUTDIK-UHFFFAOYSA-N
MW305.87 g/mol
LogP4.78
Rot. Bonds3

About 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine

1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (PubChem CID 107126590) has the molecular formula C17H20ClNS and a molecular weight of 305.87 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
PubChem CID107126590
Molecular FormulaC17H20ClNS
Molecular Weight305.87 g/mol
Exact Mass305.10
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESCNC(c1cc(C)c(Cl)s1)C1CCc2ccccc2C1
InChIInChI=1S/C17H20ClNS/c1-11-9-15(20-17(11)18)16(19-2)14-8-7-12-5-3-4-6-13(12)10-14/h3-6,9,14,16,19H,7-8,10H2,1-2H3
InChIKeyFBICRMMSHUTDIK-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.87
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[chloro(2,3-dihydro-1H-inden-2-yl)methyl]-3-methylthiophene
CID 106893999
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107128830
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 79697550
1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 102763790
N-[(5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 102764052
N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine
CID 102763969
2-(2-chlorophenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65405558
N-methyl-1-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 103130976
1-(2,3-dihydro-1H-inden-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 106892701
2-chloro-5-[chloro(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3-methylthiophene
CID 102764819
1-(2-chloro-4-fluoro-5-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 106892796
N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126528

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (CID 107126590) is 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is CNC(c1cc(C)c(Cl)s1)C1CCc2ccccc2C1.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The InChIKey is FBICRMMSHUTDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNS/c1-11-9-15(20-17(11)18)16(19-2)14-8-7-12-5-3-4-6-13(12)10-14/h3-6,9,14,16,19H,7-8,10H2,1-2H3.
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine has a molecular weight of 305.87 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 107126590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).