N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C19H25NS — CID 115418288

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc(C(C)NC2CCC(C)c3ccccc32)c(C)s1
InChIInChI=1S/C19H25NS/c1-12-9-10-19(17-8-6-5-7-16(12)17)20-14(3)18-11-13(2)21-15(18)4/h5-8,11-12,14,19-20H,9-10H2,1-4H3
InChIKeyUWJILCPBTMOVGC-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.65
Rot. Bonds3

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115418288) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115418288
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc(C(C)NC2CCC(C)c3ccccc32)c(C)s1
InChIInChI=1S/C19H25NS/c1-12-9-10-19(17-8-6-5-7-16(12)17)20-14(3)18-11-13(2)21-15(18)4/h5-8,11-12,14,19-20H,9-10H2,1-4H3
InChIKeyUWJILCPBTMOVGC-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418524
4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113305898
4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301517
(2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 103789078
N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418510
N-[1-(furan-2-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81302193
4-methyl-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301993
N-[(1S)-1-(3-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418519
(6S)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81301176
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexanamine
CID 43096415
N-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418412
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079622

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115418288) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1cc(C(C)NC2CCC(C)c3ccccc32)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UWJILCPBTMOVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-12-9-10-19(17-8-6-5-7-16(12)17)20-14(3)18-11-13(2)21-15(18)4/h5-8,11-12,14,19-20H,9-10H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 299.48 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115418288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).