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

C18H22ClNS — CID 103405352

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCNC(CC1CCCc2ccccc21)c1scc(C)c1Cl
InChIInChI=1S/C18H22ClNS/c1-12-11-21-18(17(12)19)16(20-2)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-4,6,9,11,14,16,20H,5,7-8,10H2,1-2H3
InChIKeyLDEGAGPTSYBGDC-UHFFFAOYSA-N
MW319.90 g/mol
LogP5.48
Rot. Bonds4

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

1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (PubChem CID 103405352) has the molecular formula C18H22ClNS and a molecular weight of 319.90 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
PubChem CID103405352
Molecular FormulaC18H22ClNS
Molecular Weight319.90 g/mol
Exact Mass319.12
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCNC(CC1CCCc2ccccc21)c1scc(C)c1Cl
InChIInChI=1S/C18H22ClNS/c1-12-11-21-18(17(12)19)16(20-2)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-4,6,9,11,14,16,20H,5,7-8,10H2,1-2H3
InChIKeyLDEGAGPTSYBGDC-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.90
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 103405354
1-(5-bromothiophen-3-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 105107194
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408111
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
[1-(4,5-dimethylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105289310
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 115812317
N,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine
CID 115812436
1-(4-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 79427536
N-methyl-1-(oxolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65328404
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
CID 55241508
1-cyclopropyl-1-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 116722314

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (CID 103405352) is 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is CNC(CC1CCCc2ccccc21)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The InChIKey is LDEGAGPTSYBGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNS/c1-12-11-21-18(17(12)19)16(20-2)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-4,6,9,11,14,16,20H,5,7-8,10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine has a molecular weight of 319.90 g/mol, XLogP of 5.48, 4 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)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 103405352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).