[5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine

C16H19NOS — CID 107558127

IUPAC[5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(COC2CCCc3ccccc32)s1
InChIInChI=1S/C16H19NOS/c17-10-13-8-9-14(19-13)11-18-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-9,16H,3,5,7,10-11,17H2
InChIKeyKGSYDPBTGVTCBJ-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.80
Rot. Bonds4

About [5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine

[5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine (PubChem CID 107558127) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is [5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine
PubChem CID107558127
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name[5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(COC2CCCc3ccccc32)s1
InChIInChI=1S/C16H19NOS/c17-10-13-8-9-14(19-13)11-18-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-9,16H,3,5,7,10-11,17H2
InChIKeyKGSYDPBTGVTCBJ-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-2-amine
CID 43137896
[5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-2-yl]methanamine
CID 62457498
1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol
CID 64814404
4-(chloromethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazole
CID 43138207
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)furan-3-yl]methanamine
CID 62456342
5-chloro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline
CID 62100757
4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline
CID 43443892
2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol
CID 64803202
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-4-amine
CID 80654849
4-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 43519719
2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 62497436

Frequently Asked Questions

What is the IUPAC name of [5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine (CID 107558127) is [5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine is NCc1ccc(COC2CCCc3ccccc32)s1.
What is the InChIKey of [5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine?
The InChIKey is KGSYDPBTGVTCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c17-10-13-8-9-14(19-13)11-18-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-9,16H,3,5,7,10-11,17H2.
What are the key properties of [5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine?
[5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine has a molecular weight of 273.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 107558127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).