N-ethyl-2-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

C17H27NO — CID 79575553

IUPACN-ethyl-2-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCCCOCC(NCC)C1CCCc2ccccc21
InChIInChI=1S/C17H27NO/c1-3-12-19-13-17(18-4-2)16-11-7-9-14-8-5-6-10-15(14)16/h5-6,8,10,16-18H,3-4,7,9,11-13H2,1-2H3
InChIKeyKTCBQSVMTRVGJT-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.51
Rot. Bonds7

About N-ethyl-2-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

N-ethyl-2-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (PubChem CID 79575553) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-2-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
PubChem CID79575553
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-ethyl-2-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCCCOCC(NCC)C1CCCc2ccccc21
InChIInChI=1S/C17H27NO/c1-3-12-19-13-17(18-4-2)16-11-7-9-14-8-5-6-10-15(14)16/h5-6,8,10,16-18H,3-4,7,9,11-13H2,1-2H3
InChIKeyKTCBQSVMTRVGJT-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63418635
N-ethyl-2-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 55175096
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824813
N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine
CID 64774222
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine
CID 55188345
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 82868525
N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63686004
N-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine
CID 63509295
N-[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-propoxyethyl]propan-1-amine
CID 105165478
[1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-propoxyethyl]hydrazine
CID 105321431
2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 55188342
5-chloro-6-(2-propoxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 106455999

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The IUPAC name of N-ethyl-2-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (CID 79575553) is N-ethyl-2-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The canonical SMILES for N-ethyl-2-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is CCCOCC(NCC)C1CCCc2ccccc21.
What is the InChIKey of N-ethyl-2-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The InChIKey is KTCBQSVMTRVGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-12-19-13-17(18-4-2)16-11-7-9-14-8-5-6-10-15(14)16/h5-6,8,10,16-18H,3-4,7,9,11-13H2,1-2H3.
What are the key properties of N-ethyl-2-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
N-ethyl-2-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 79575553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).