(1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine

C17H23NO2 — CID 63368514

IUPAC(1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine
SMILESCC(C)OCCOc1c([C@H](C)N)ccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-12(2)19-10-11-20-17-15(13(3)18)9-8-14-6-4-5-7-16(14)17/h4-9,12-13H,10-11,18H2,1-3H3/t13-/m0/s1
InChIKeyHMOUDNGEUAKDNH-ZDUSSCGKSA-N
MW273.38 g/mol
LogP3.66
Rot. Bonds6

About (1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine

(1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine (PubChem CID 63368514) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine
PubChem CID63368514
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine
SMILESCC(C)OCCOc1c([C@H](C)N)ccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-12(2)19-10-11-20-17-15(13(3)18)9-8-14-6-4-5-7-16(14)17/h4-9,12-13H,10-11,18H2,1-3H3/t13-/m0/s1
InChIKeyHMOUDNGEUAKDNH-ZDUSSCGKSA-N
XLogP3.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.66
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

1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine
CID 82927028
1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine
CID 60889205
(1R)-1-(1-but-3-enoxynaphthalen-2-yl)ethanamine
CID 78967478
(1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine
CID 63368402
(1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine
CID 104863269
(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
(1S)-1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 114058877
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-naphthalen-1-yl-2-(2-propan-2-yloxyethoxy)ethanamine
CID 43184047

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine?
The IUPAC name of (1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine (CID 63368514) is (1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine is CC(C)OCCOc1c([C@H](C)N)ccc2ccccc12.
What is the InChIKey of (1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine?
The InChIKey is HMOUDNGEUAKDNH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(2)19-10-11-20-17-15(13(3)18)9-8-14-6-4-5-7-16(14)17/h4-9,12-13H,10-11,18H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine?
(1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine is sourced from PubChem (CID 63368514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).