1-naphthalen-1-yl-2-(2-propan-2-yloxyethoxy)ethanamine

C17H23NO2 — CID 43184047

IUPAC1-naphthalen-1-yl-2-(2-propan-2-yloxyethoxy)ethanamine
SMILESCC(C)OCCOCC(N)c1cccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-13(2)20-11-10-19-12-17(18)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13,17H,10-12,18H2,1-2H3
InChIKeyNWMQAHHDNUURBT-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.28
Rot. Bonds7

About 1-naphthalen-1-yl-2-(2-propan-2-yloxyethoxy)ethanamine

1-naphthalen-1-yl-2-(2-propan-2-yloxyethoxy)ethanamine (PubChem CID 43184047) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-naphthalen-1-yl-2-(2-propan-2-yloxyethoxy)ethanamine.

Molecular Properties

Compound Name1-naphthalen-1-yl-2-(2-propan-2-yloxyethoxy)ethanamine
PubChem CID43184047
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-naphthalen-1-yl-2-(2-propan-2-yloxyethoxy)ethanamine
SMILESCC(C)OCCOCC(N)c1cccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-13(2)20-11-10-19-12-17(18)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13,17H,10-12,18H2,1-2H3
InChIKeyNWMQAHHDNUURBT-UHFFFAOYSA-N
XLogP3.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.28
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-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
2-heptoxy-1-naphthalen-1-ylethanamine
CID 43127496
2-(3-methoxy-3-methylbutoxy)-1-naphthalen-1-ylethanamine
CID 106665394
1-naphthalen-1-yl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82781742
(1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine
CID 63368514
(1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine
CID 28541442
1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine
CID 43184596
1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene
CID 69118835
(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
CID 171212055
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
2-chloro-1-naphthalen-1-ylethanamine
CID 116937640
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-2-(2-propan-2-yloxyethoxy)ethanamine?
The IUPAC name of 1-naphthalen-1-yl-2-(2-propan-2-yloxyethoxy)ethanamine (CID 43184047) is 1-naphthalen-1-yl-2-(2-propan-2-yloxyethoxy)ethanamine.
What is the SMILES notation for 1-naphthalen-1-yl-2-(2-propan-2-yloxyethoxy)ethanamine?
The canonical SMILES for 1-naphthalen-1-yl-2-(2-propan-2-yloxyethoxy)ethanamine is CC(C)OCCOCC(N)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-2-(2-propan-2-yloxyethoxy)ethanamine?
The InChIKey is NWMQAHHDNUURBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13(2)20-11-10-19-12-17(18)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13,17H,10-12,18H2,1-2H3.
What are the key properties of 1-naphthalen-1-yl-2-(2-propan-2-yloxyethoxy)ethanamine?
1-naphthalen-1-yl-2-(2-propan-2-yloxyethoxy)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-2-(2-propan-2-yloxyethoxy)ethanamine is sourced from PubChem (CID 43184047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).