N-ethyl-2-(3-methoxypropylsulfanyl)-1-naphthalen-2-ylethanamine

C18H25NOS — CID 64626467

IUPACN-ethyl-2-(3-methoxypropylsulfanyl)-1-naphthalen-2-ylethanamine
SMILESCCNC(CSCCCOC)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NOS/c1-3-19-18(14-21-12-6-11-20-2)17-10-9-15-7-4-5-8-16(15)13-17/h4-5,7-10,13,18-19H,3,6,11-12,14H2,1-2H3
InChIKeyHQOPPAQZERAAEA-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.26
Rot. Bonds9

About N-ethyl-2-(3-methoxypropylsulfanyl)-1-naphthalen-2-ylethanamine

N-ethyl-2-(3-methoxypropylsulfanyl)-1-naphthalen-2-ylethanamine (PubChem CID 64626467) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxypropylsulfanyl)-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxypropylsulfanyl)-1-naphthalen-2-ylethanamine
PubChem CID64626467
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-ethyl-2-(3-methoxypropylsulfanyl)-1-naphthalen-2-ylethanamine
SMILESCCNC(CSCCCOC)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NOS/c1-3-19-18(14-21-12-6-11-20-2)17-10-9-15-7-4-5-8-16(15)13-17/h4-5,7-10,13,18-19H,3,6,11-12,14H2,1-2H3
InChIKeyHQOPPAQZERAAEA-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.26
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-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine
CID 64625668
1-(1,3-benzodioxol-5-yl)-N-ethyl-2-(3-methoxypropylsulfanyl)ethanamine
CID 64628475
N-ethyl-1-naphthalen-2-ylbutan-1-amine
CID 62716918
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine
CID 64626660
2-butylsulfanyl-1-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 64609867
N-ethyl-4-methyl-1-naphthalen-2-ylpentan-1-amine
CID 63417061
2-butylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64611504
N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine
CID 64646583
(3-methoxy-1-naphthalen-2-ylpropyl)hydrazine
CID 105206319
1-(3,4-dimethylphenyl)-N-ethyl-2-pentylsulfanylethanamine
CID 107762984
N-methyl-2-(3-methylbutylsulfanyl)-1-naphthalen-2-ylethanamine
CID 107764148
N,2-diethyl-2-methoxy-1-naphthalen-2-ylbutan-1-amine
CID 116761218

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxypropylsulfanyl)-1-naphthalen-2-ylethanamine?
The IUPAC name of N-ethyl-2-(3-methoxypropylsulfanyl)-1-naphthalen-2-ylethanamine (CID 64626467) is N-ethyl-2-(3-methoxypropylsulfanyl)-1-naphthalen-2-ylethanamine.
What is the SMILES notation for N-ethyl-2-(3-methoxypropylsulfanyl)-1-naphthalen-2-ylethanamine?
The canonical SMILES for N-ethyl-2-(3-methoxypropylsulfanyl)-1-naphthalen-2-ylethanamine is CCNC(CSCCCOC)c1ccc2ccccc2c1.
What is the InChIKey of N-ethyl-2-(3-methoxypropylsulfanyl)-1-naphthalen-2-ylethanamine?
The InChIKey is HQOPPAQZERAAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-3-19-18(14-21-12-6-11-20-2)17-10-9-15-7-4-5-8-16(15)13-17/h4-5,7-10,13,18-19H,3,6,11-12,14H2,1-2H3.
What are the key properties of N-ethyl-2-(3-methoxypropylsulfanyl)-1-naphthalen-2-ylethanamine?
N-ethyl-2-(3-methoxypropylsulfanyl)-1-naphthalen-2-ylethanamine has a molecular weight of 303.47 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxypropylsulfanyl)-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 64626467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).