(1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine

C16H21NOS — CID 104863269

IUPAC(1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine
SMILESCCSCCOc1c([C@@H](C)N)ccc2ccccc12
InChIInChI=1S/C16H21NOS/c1-3-19-11-10-18-16-14(12(2)17)9-8-13-6-4-5-7-15(13)16/h4-9,12H,3,10-11,17H2,1-2H3/t12-/m1/s1
InChIKeyQVDWSGNHKMLECB-GFCCVEGCSA-N
MW275.42 g/mol
LogP3.99
Rot. Bonds6

About (1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine

(1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine (PubChem CID 104863269) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is (1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine
PubChem CID104863269
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name(1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine
SMILESCCSCCOc1c([C@@H](C)N)ccc2ccccc12
InChIInChI=1S/C16H21NOS/c1-3-19-11-10-18-16-14(12(2)17)9-8-13-6-4-5-7-15(13)16/h4-9,12H,3,10-11,17H2,1-2H3/t12-/m1/s1
InChIKeyQVDWSGNHKMLECB-GFCCVEGCSA-N
XLogP3.99
TPSA35.25 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 ≤ 53.99
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

(1R)-1-(1-but-3-enoxynaphthalen-2-yl)ethanamine
CID 78967478
(1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine
CID 63368514
(1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine
CID 63368402
1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine
CID 82927028
1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine
CID 60889205
9,10-bis(2-ethylsulfanylethoxy)anthracene
CID 139902048
(1R)-1-[1-(2-thiophen-2-ylethoxy)naphthalen-2-yl]ethanamine
CID 78950759
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
CID 78930722
1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol
CID 63928570
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol
CID 104881475
(1R)-1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethanamine
CID 78937490
1-[1-[2-(oxolan-2-yl)ethoxy]naphthalen-2-yl]ethanamine
CID 65158928

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine?
The IUPAC name of (1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine (CID 104863269) is (1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine.
What is the SMILES notation for (1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine?
The canonical SMILES for (1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine is CCSCCOc1c([C@@H](C)N)ccc2ccccc12.
What is the InChIKey of (1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine?
The InChIKey is QVDWSGNHKMLECB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21NOS/c1-3-19-11-10-18-16-14(12(2)17)9-8-13-6-4-5-7-15(13)16/h4-9,12H,3,10-11,17H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine?
(1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine is sourced from PubChem (CID 104863269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).