N-[(2-methoxynaphthalen-1-yl)methyl]-1-thiophen-3-ylmethanamine

C17H17NOS — CID 60733120

IUPACN-[(2-methoxynaphthalen-1-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCOc1ccc2ccccc2c1CNCc1ccsc1
InChIInChI=1S/C17H17NOS/c1-19-17-7-6-14-4-2-3-5-15(14)16(17)11-18-10-13-8-9-20-12-13/h2-9,12,18H,10-11H2,1H3
InChIKeyYZWHIHNATMARJE-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.20
Rot. Bonds5

About N-[(2-methoxynaphthalen-1-yl)methyl]-1-thiophen-3-ylmethanamine

N-[(2-methoxynaphthalen-1-yl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 60733120) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(2-methoxynaphthalen-1-yl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methoxynaphthalen-1-yl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID60733120
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC NameN-[(2-methoxynaphthalen-1-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCOc1ccc2ccccc2c1CNCc1ccsc1
InChIInChI=1S/C17H17NOS/c1-19-17-7-6-14-4-2-3-5-15(14)16(17)11-18-10-13-8-9-20-12-13/h2-9,12,18H,10-11H2,1H3
InChIKeyYZWHIHNATMARJE-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
CID 62693267
3-[(2-methoxynaphthalen-1-yl)methylamino]propanenitrile
CID 43215614
2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine
CID 5158918
1-cyclohexyl-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine
CID 43215559
3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine
CID 63226555
1-[2-[(2-methoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295794
1-(1H-imidazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine
CID 62998840
1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 60711272
N-(1H-imidazol-2-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine
CID 63001644
N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine
CID 64867903
1-[(2-thiophen-3-ylethylamino)methyl]naphthalen-2-ol
CID 61475104
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-thiophen-3-ylmethanamine
CID 60776937

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-1-thiophen-3-ylmethanamine (CID 60733120) is N-[(2-methoxynaphthalen-1-yl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(2-methoxynaphthalen-1-yl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(2-methoxynaphthalen-1-yl)methyl]-1-thiophen-3-ylmethanamine is COc1ccc2ccccc2c1CNCc1ccsc1.
What is the InChIKey of N-[(2-methoxynaphthalen-1-yl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is YZWHIHNATMARJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-19-17-7-6-14-4-2-3-5-15(14)16(17)11-18-10-13-8-9-20-12-13/h2-9,12,18H,10-11H2,1H3.
What are the key properties of N-[(2-methoxynaphthalen-1-yl)methyl]-1-thiophen-3-ylmethanamine?
N-[(2-methoxynaphthalen-1-yl)methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 283.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxynaphthalen-1-yl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 60733120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).