5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H21NO — CID 65454800

IUPAC5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC#CCCOc1cccc2c1CCCC2NCC
InChIInChI=1S/C16H21NO/c1-3-5-12-18-16-11-7-8-13-14(16)9-6-10-15(13)17-4-2/h1,7-8,11,15,17H,4-6,9-10,12H2,2H3
InChIKeyDYHFNRQKMVGNBD-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.08
Rot. Bonds5

About 5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine

5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65454800) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65454800
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC#CCCOc1cccc2c1CCCC2NCC
InChIInChI=1S/C16H21NO/c1-3-5-12-18-16-11-7-8-13-14(16)9-6-10-15(13)17-4-2/h1,7-8,11,15,17H,4-6,9-10,12H2,2H3
InChIKeyDYHFNRQKMVGNBD-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456133
4-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butanenitrile
CID 65454998
N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455939
N-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107006227
4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63091187
N-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine
CID 104647071
5-(3-methoxypropoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454433
5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455547
4-but-3-ynoxy-2,3-dihydro-1H-inden-1-ol
CID 63091221
5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454622
N-ethyl-5-[(1-methyltriazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107041494
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418

Frequently Asked Questions

What is the IUPAC name of 5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65454800) is 5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine is C#CCCOc1cccc2c1CCCC2NCC.
What is the InChIKey of 5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is DYHFNRQKMVGNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-5-12-18-16-11-7-8-13-14(16)9-6-10-15(13)17-4-2/h1,7-8,11,15,17H,4-6,9-10,12H2,2H3.
What are the key properties of 5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65454800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).