1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine

C17H17NOS — CID 60711272

IUPAC1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine
SMILESCOc1ccc2cc(CNCc3ccsc3)ccc2c1
InChIInChI=1S/C17H17NOS/c1-19-17-5-4-15-8-13(2-3-16(15)9-17)10-18-11-14-6-7-20-12-14/h2-9,12,18H,10-11H2,1H3
InChIKeyLFOVUVGERZCCPR-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.20
Rot. Bonds5

About 1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine

1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 60711272) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine
PubChem CID60711272
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine
SMILESCOc1ccc2cc(CNCc3ccsc3)ccc2c1
InChIInChI=1S/C17H17NOS/c1-19-17-5-4-15-8-13(2-3-16(15)9-17)10-18-11-14-6-7-20-12-14/h2-9,12,18H,10-11H2,1H3
InChIKeyLFOVUVGERZCCPR-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-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine
CID 60887556
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-thiophen-3-ylmethanamine
CID 60776937
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111181367
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(thiophen-3-ylmethyl)methanamine
CID 60760352
1-(6-methoxynaphthalen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103700671
1-(6-methoxynaphthalen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 63279880
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine
CID 30649329
(1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81371445
N-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60752325
1-(6-methoxynaphthalen-2-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285857

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine (CID 60711272) is 1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine is COc1ccc2cc(CNCc3ccsc3)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is LFOVUVGERZCCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-19-17-5-4-15-8-13(2-3-16(15)9-17)10-18-11-14-6-7-20-12-14/h2-9,12,18H,10-11H2,1H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine?
1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine 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 1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 60711272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).