1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine

C17H17NS — CID 105155456

IUPAC1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine
SMILESCc1cc(C(N)Cc2cccc3ccccc23)cs1
InChIInChI=1S/C17H17NS/c1-12-9-15(11-19-12)17(18)10-14-7-4-6-13-5-2-3-8-16(13)14/h2-9,11,17H,10,18H2,1H3
InChIKeyWLDFCILHOBWREM-UHFFFAOYSA-N
MW267.40 g/mol
LogP4.45
Rot. Bonds3

About 1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine

1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine (PubChem CID 105155456) has the molecular formula C17H17NS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine
PubChem CID105155456
Molecular FormulaC17H17NS
Molecular Weight267.40 g/mol
Exact Mass267.11
IUPAC Name1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine
SMILESCc1cc(C(N)Cc2cccc3ccccc23)cs1
InChIInChI=1S/C17H17NS/c1-12-9-15(11-19-12)17(18)10-14-7-4-6-13-5-2-3-8-16(13)14/h2-9,11,17H,10,18H2,1H3
InChIKeyWLDFCILHOBWREM-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine
CID 63527361
2-(2,6-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104969
1-(5-methylthiophen-2-yl)-2-naphthalen-1-ylethanamine
CID 61079214
1-(4-fluoro-3-methylphenyl)-2-naphthalen-1-ylethanamine
CID 62600642
2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104603
2-naphthalen-1-yl-1-pyridin-4-ylethanamine
CID 61079955
1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine
CID 63527360
1-(5-methylthiophen-3-yl)ethane-1,2-diamine
CID 55294445
2-(4-chlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104441
1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanamine
CID 61079585
2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene
CID 107965768
1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine
CID 63418657

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine?
The IUPAC name of 1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine (CID 105155456) is 1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine.
What is the SMILES notation for 1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine?
The canonical SMILES for 1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine is Cc1cc(C(N)Cc2cccc3ccccc23)cs1.
What is the InChIKey of 1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine?
The InChIKey is WLDFCILHOBWREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS/c1-12-9-15(11-19-12)17(18)10-14-7-4-6-13-5-2-3-8-16(13)14/h2-9,11,17H,10,18H2,1H3.
What are the key properties of 1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine?
1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine has a molecular weight of 267.40 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine is sourced from PubChem (CID 105155456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).