1-(2-naphthalen-2-yloxyethylsulfanyl)propan-2-amine

C15H19NOS — CID 66218956

IUPAC1-(2-naphthalen-2-yloxyethylsulfanyl)propan-2-amine
SMILESCC(N)CSCCOc1ccc2ccccc2c1
InChIInChI=1S/C15H19NOS/c1-12(16)11-18-9-8-17-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12H,8-9,11,16H2,1H3
InChIKeyOWTMNKBGPASEEB-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.30
Rot. Bonds6

About 1-(2-naphthalen-2-yloxyethylsulfanyl)propan-2-amine

1-(2-naphthalen-2-yloxyethylsulfanyl)propan-2-amine (PubChem CID 66218956) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(2-naphthalen-2-yloxyethylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-naphthalen-2-yloxyethylsulfanyl)propan-2-amine
PubChem CID66218956
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-(2-naphthalen-2-yloxyethylsulfanyl)propan-2-amine
SMILESCC(N)CSCCOc1ccc2ccccc2c1
InChIInChI=1S/C15H19NOS/c1-12(16)11-18-9-8-17-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12H,8-9,11,16H2,1H3
InChIKeyOWTMNKBGPASEEB-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.30
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

2-(Naphthalen-1-yloxy)ethanamine
CID 14519851
(6-Ethoxy-2-naphthyl)-2-aminopropane
CID 44590294
(6-Propoxy-2-naphthyl)-2-aminopropane
CID 44590295
2-{[(4-Methoxyphenyl)(diphenyl)methyl]sulfanyl}ethan-1-amine
CID 13008994
3-(Naphthalen-1-yloxy)propan-1-amine
CID 14566707
(2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropan-1-ol
CID 53494981
(2S)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropan-1-ol
CID 56662634
2-(2-Aminoethoxy)naphthalene
CID 2794245
(6-Butoxy-2-naphthyl)-2-aminopropane
CID 44590779
2-[4-(Isopropylthio)butoxy]naphthalene
CID 2237929
2-[(3-Methoxyphenyl)-diphenylmethyl]sulfanylethanamine
CID 57326576
2-((4-Ethoxyphenyl)Diphenylmethylthio)Ethanamine
CID 71582936

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-2-yloxyethylsulfanyl)propan-2-amine?
The IUPAC name of 1-(2-naphthalen-2-yloxyethylsulfanyl)propan-2-amine (CID 66218956) is 1-(2-naphthalen-2-yloxyethylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(2-naphthalen-2-yloxyethylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(2-naphthalen-2-yloxyethylsulfanyl)propan-2-amine is CC(N)CSCCOc1ccc2ccccc2c1.
What is the InChIKey of 1-(2-naphthalen-2-yloxyethylsulfanyl)propan-2-amine?
The InChIKey is OWTMNKBGPASEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-12(16)11-18-9-8-17-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12H,8-9,11,16H2,1H3.
What are the key properties of 1-(2-naphthalen-2-yloxyethylsulfanyl)propan-2-amine?
1-(2-naphthalen-2-yloxyethylsulfanyl)propan-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-2-yloxyethylsulfanyl)propan-2-amine is sourced from PubChem (CID 66218956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).