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

C15H19NO — CID 65456133

IUPACN-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC#CCOc1cccc2c1CCCC2NCC
InChIInChI=1S/C15H19NO/c1-3-11-17-15-10-6-7-12-13(15)8-5-9-14(12)16-4-2/h1,6-7,10,14,16H,4-5,8-9,11H2,2H3
InChIKeySXXMWMJVBQBGCZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.69
Rot. Bonds4

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

N-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65456133) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65456133
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC#CCOc1cccc2c1CCCC2NCC
InChIInChI=1S/C15H19NO/c1-3-11-17-15-10-6-7-12-13(15)8-5-9-14(12)16-4-2/h1,6-7,10,14,16H,4-5,8-9,11H2,2H3
InChIKeySXXMWMJVBQBGCZ-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454800
N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455939
4-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butanenitrile
CID 65454998
N-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107006227
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
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
N-ethyl-4-(2-methylpentoxy)-2,3-dihydro-1H-inden-1-amine
CID 63091549
2-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propanamide
CID 65453859
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65456133) is N-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine is C#CCOc1cccc2c1CCCC2NCC.
What is the InChIKey of N-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is SXXMWMJVBQBGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-11-17-15-10-6-7-12-13(15)8-5-9-14(12)16-4-2/h1,6-7,10,14,16H,4-5,8-9,11H2,2H3.
What are the key properties of N-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 229.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65456133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).