1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine

C16H21NOS — CID 63982854

IUPAC1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
SMILESCOc1ccc2cc(C(C)NCCSC)ccc2c1
InChIInChI=1S/C16H21NOS/c1-12(17-8-9-19-3)13-4-5-15-11-16(18-2)7-6-14(15)10-13/h4-7,10-12,17H,8-9H2,1-3H3
InChIKeyLYCWAPFMIFAWTN-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.86
Rot. Bonds6

About 1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine

1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine (PubChem CID 63982854) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
PubChem CID63982854
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
SMILESCOc1ccc2cc(C(C)NCCSC)ccc2c1
InChIInChI=1S/C16H21NOS/c1-12(17-8-9-19-3)13-4-5-15-11-16(18-2)7-6-14(15)10-13/h4-7,10-12,17H,8-9H2,1-3H3
InChIKeyLYCWAPFMIFAWTN-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 81370452
N-ethyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 24708514
N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine
CID 43190378
4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol
CID 106840515
N-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115663810
1-(3-fluoro-4-methoxyphenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 60697209
2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol
CID 43207599
(1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 81370951
1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine
CID 60697408
2-methoxy-N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine
CID 115664040
1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976496

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine (CID 63982854) is 1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine is COc1ccc2cc(C(C)NCCSC)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine?
The InChIKey is LYCWAPFMIFAWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12(17-8-9-19-3)13-4-5-15-11-16(18-2)7-6-14(15)10-13/h4-7,10-12,17H,8-9H2,1-3H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine?
1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.86, 6 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-(2-methylsulfanylethyl)ethanamine is sourced from PubChem (CID 63982854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).