3-(6-propan-2-yloxynaphthalen-2-yl)prop-2-yn-1-amine

C16H17NO — CID 54995869

IUPAC3-(6-propan-2-yloxynaphthalen-2-yl)prop-2-yn-1-amine
SMILESCC(C)Oc1ccc2cc(C#CCN)ccc2c1
InChIInChI=1S/C16H17NO/c1-12(2)18-16-8-7-14-10-13(4-3-9-17)5-6-15(14)11-16/h5-8,10-12H,9,17H2,1-2H3
InChIKeyZDJHJOUORIVMID-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.94
Rot. Bonds2

About 3-(6-propan-2-yloxynaphthalen-2-yl)prop-2-yn-1-amine

3-(6-propan-2-yloxynaphthalen-2-yl)prop-2-yn-1-amine (PubChem CID 54995869) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(6-propan-2-yloxynaphthalen-2-yl)prop-2-yn-1-amine.

Molecular Properties

Compound Name3-(6-propan-2-yloxynaphthalen-2-yl)prop-2-yn-1-amine
PubChem CID54995869
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-(6-propan-2-yloxynaphthalen-2-yl)prop-2-yn-1-amine
SMILESCC(C)Oc1ccc2cc(C#CCN)ccc2c1
InChIInChI=1S/C16H17NO/c1-12(2)18-16-8-7-14-10-13(4-3-9-17)5-6-15(14)11-16/h5-8,10-12H,9,17H2,1-2H3
InChIKeyZDJHJOUORIVMID-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.94
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

3-(3-butan-2-yloxyphenyl)prop-2-yn-1-amine
CID 60801175
2-(3-chloroprop-1-ynyl)-6-(difluoromethoxy)naphthalene
CID 54995919
3-[6-(difluoromethoxy)naphthalen-2-yl]prop-2-yn-1-ol
CID 54995626
3-[4-(4-methylpentoxy)phenyl]prop-2-yn-1-amine
CID 83162144
3-(4-ethoxyphenyl)prop-2-yn-1-amine;hydrochloride
CID 75480678
[4-(4-propan-2-yloxyphenoxy)carbonylphenyl] 6-prop-1-ynylnaphthalene-2-carboxylate
CID 20645837
4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol
CID 54995677
2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene
CID 54995772
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propan-2-yloxyacetamide
CID 112603664
3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
CID 60799775
3-(3-chloro-4-methoxyphenyl)prop-2-yn-1-amine
CID 60802193
3-(3-methoxyphenyl)prop-2-yn-1-amine;hydrochloride
CID 75365696

Frequently Asked Questions

What is the IUPAC name of 3-(6-propan-2-yloxynaphthalen-2-yl)prop-2-yn-1-amine?
The IUPAC name of 3-(6-propan-2-yloxynaphthalen-2-yl)prop-2-yn-1-amine (CID 54995869) is 3-(6-propan-2-yloxynaphthalen-2-yl)prop-2-yn-1-amine.
What is the SMILES notation for 3-(6-propan-2-yloxynaphthalen-2-yl)prop-2-yn-1-amine?
The canonical SMILES for 3-(6-propan-2-yloxynaphthalen-2-yl)prop-2-yn-1-amine is CC(C)Oc1ccc2cc(C#CCN)ccc2c1.
What is the InChIKey of 3-(6-propan-2-yloxynaphthalen-2-yl)prop-2-yn-1-amine?
The InChIKey is ZDJHJOUORIVMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12(2)18-16-8-7-14-10-13(4-3-9-17)5-6-15(14)11-16/h5-8,10-12H,9,17H2,1-2H3.
What are the key properties of 3-(6-propan-2-yloxynaphthalen-2-yl)prop-2-yn-1-amine?
3-(6-propan-2-yloxynaphthalen-2-yl)prop-2-yn-1-amine has a molecular weight of 239.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-propan-2-yloxynaphthalen-2-yl)prop-2-yn-1-amine is sourced from PubChem (CID 54995869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).