1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

C17H20ClNS — CID 103405354

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCc1csc(C(N)CC2CCCc3ccccc32)c1Cl
InChIInChI=1S/C17H20ClNS/c1-11-10-20-17(16(11)18)15(19)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-3,5,8,10,13,15H,4,6-7,9,19H2,1H3
InChIKeyVRQKBMFUUWGXOW-UHFFFAOYSA-N
MW305.87 g/mol
LogP5.22
Rot. Bonds3

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

1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (PubChem CID 103405354) has the molecular formula C17H20ClNS and a molecular weight of 305.87 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
PubChem CID103405354
Molecular FormulaC17H20ClNS
Molecular Weight305.87 g/mol
Exact Mass305.10
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCc1csc(C(N)CC2CCCc3ccccc32)c1Cl
InChIInChI=1S/C17H20ClNS/c1-11-10-20-17(16(11)18)15(19)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-3,5,8,10,13,15H,4,6-7,9,19H2,1H3
InChIKeyVRQKBMFUUWGXOW-UHFFFAOYSA-N
XLogP5.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.87
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine with MolForge

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 103405352
1-(5-bromothiophen-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 105107044
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408111
1-(4-fluoro-2-methylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 81270071
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(4-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 115813113
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105107040
1-(3-chloro-4-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 105106966
1-(5-bromo-2-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 115812382
1-(2-methylcyclopropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65420172
1-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 63772832
1-(2-methylthiolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 105106968

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (CID 103405354) is 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is Cc1csc(C(N)CC2CCCc3ccccc32)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The InChIKey is VRQKBMFUUWGXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNS/c1-11-10-20-17(16(11)18)15(19)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-3,5,8,10,13,15H,4,6-7,9,19H2,1H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine has a molecular weight of 305.87 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 103405354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).