N-[1-(5-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine

C17H21NS — CID 43102799

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCc1ccc(C(C)Nc2cccc3c2CCCC3)s1
InChIInChI=1S/C17H21NS/c1-12-10-11-17(19-12)13(2)18-16-9-5-7-14-6-3-4-8-15(14)16/h5,7,9-11,13,18H,3-4,6,8H2,1-2H3
InChIKeyXBSHOIHOMRKWQR-UHFFFAOYSA-N
MW271.43 g/mol
LogP5.11
Rot. Bonds3

About N-[1-(5-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine

N-[1-(5-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 43102799) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID43102799
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCc1ccc(C(C)Nc2cccc3c2CCCC3)s1
InChIInChI=1S/C17H21NS/c1-12-10-11-17(19-12)13(2)18-16-9-5-7-14-6-3-4-8-15(14)16/h5,7,9-11,13,18H,3-4,6,8H2,1-2H3
InChIKeyXBSHOIHOMRKWQR-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.43
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol
CID 43192226
N-[1-(2,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43096568
1-[2-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 43103289
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butanoic acid
CID 103232448
methyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzoate
CID 43714447
3-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]-2-nitroaniline
CID 47389861
2-ethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43191741
1-(5-methylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 63772271
N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43307588
N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide
CID 51248619
N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 55233075
N-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 79540760

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine (CID 43102799) is N-[1-(5-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine is Cc1ccc(C(C)Nc2cccc3c2CCCC3)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is XBSHOIHOMRKWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-12-10-11-17(19-12)13(2)18-16-9-5-7-14-6-3-4-8-15(14)16/h5,7,9-11,13,18H,3-4,6,8H2,1-2H3.
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
N-[1-(5-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 271.43 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43102799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).