2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)prop-2-en-1-amine

C14H19NO — CID 103067111

IUPAC2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COc1ccc2c(c1)CCCC2
InChIInChI=1S/C14H19NO/c1-11(9-15)10-16-14-7-6-12-4-2-3-5-13(12)8-14/h6-8H,1-5,9-10,15H2
InChIKeyGIDMHAWBUBRITD-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.46
Rot. Bonds4

About 2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)prop-2-en-1-amine

2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)prop-2-en-1-amine (PubChem CID 103067111) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)prop-2-en-1-amine
PubChem CID103067111
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COc1ccc2c(c1)CCCC2
InChIInChI=1S/C14H19NO/c1-11(9-15)10-16-14-7-6-12-4-2-3-5-13(12)8-14/h6-8H,1-5,9-10,15H2
InChIKeyGIDMHAWBUBRITD-UHFFFAOYSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-amine
CID 82504394
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
1-(2,3-dihydro-1H-inden-5-yloxy)butan-2-one
CID 62038923
2-[(4-bromo-3-methylphenoxy)methyl]prop-2-en-1-amine
CID 103067433
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
CID 51275231
ethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
CID 103484935
[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)furan-3-yl]methanamine
CID 55075492
2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 84602202
5,6,7,8-tetrahydronaphthalen-2-ylmethanamine;hydrochloride
CID 18993882
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]piperidine-4-carboxamide
CID 56923124
3-(aminomethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)hexan-3-ol
CID 106811489
(E)-4-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbut-2-enoic acid
CID 55236131

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)prop-2-en-1-amine (CID 103067111) is 2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)prop-2-en-1-amine is C=C(CN)COc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)prop-2-en-1-amine?
The InChIKey is GIDMHAWBUBRITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11(9-15)10-16-14-7-6-12-4-2-3-5-13(12)8-14/h6-8H,1-5,9-10,15H2.
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)prop-2-en-1-amine?
2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)prop-2-en-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103067111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).