4-naphthalen-2-yloxybut-2-en-1-amine

C14H15NO — CID 77110191

IUPAC4-naphthalen-2-yloxybut-2-en-1-amine
SMILESNCC=CCOc1ccc2ccccc2c1
InChIInChI=1S/C14H15NO/c15-9-3-4-10-16-14-8-7-12-5-1-2-6-13(12)11-14/h1-8,11H,9-10,15H2
InChIKeyMBVBOUFKSAUDNI-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.73
Rot. Bonds4

About 4-naphthalen-2-yloxybut-2-en-1-amine

4-naphthalen-2-yloxybut-2-en-1-amine (PubChem CID 77110191) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-naphthalen-2-yloxybut-2-en-1-amine.

Molecular Properties

Compound Name4-naphthalen-2-yloxybut-2-en-1-amine
PubChem CID77110191
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name4-naphthalen-2-yloxybut-2-en-1-amine
SMILESNCC=CCOc1ccc2ccccc2c1
InChIInChI=1S/C14H15NO/c15-9-3-4-10-16-14-8-7-12-5-1-2-6-13(12)11-14/h1-8,11H,9-10,15H2
InChIKeyMBVBOUFKSAUDNI-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.73
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

4-phenoxybut-2-en-1-amine
CID 68864521
2-naphthalen-2-yloxyacetaldehyde
CID 15670594
4-(3-propan-2-ylphenoxy)but-2-en-1-amine
CID 77110614
3-naphthalen-2-ylprop-2-en-1-amine
CID 76997157
4-(4-chlorophenoxy)but-2-en-1-amine
CID 77110764
2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene
CID 132821616
2-[2-(naphthalen-2-yloxymethyl)phenyl]ethanamine
CID 115464887
2-ethoxynaphthalene
CID 118978197
[4-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine
CID 20990903
4-(4-aminobut-2-enoxy)benzamide
CID 77110813
trans-(1R,2R)-2-[(Z)-3-naphthalen-2-yloxyprop-1-enyl]cyclopropane-1-carboxylic acid
CID 101035885
1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 119057189

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yloxybut-2-en-1-amine?
The IUPAC name of 4-naphthalen-2-yloxybut-2-en-1-amine (CID 77110191) is 4-naphthalen-2-yloxybut-2-en-1-amine.
What is the SMILES notation for 4-naphthalen-2-yloxybut-2-en-1-amine?
The canonical SMILES for 4-naphthalen-2-yloxybut-2-en-1-amine is NCC=CCOc1ccc2ccccc2c1.
What is the InChIKey of 4-naphthalen-2-yloxybut-2-en-1-amine?
The InChIKey is MBVBOUFKSAUDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c15-9-3-4-10-16-14-8-7-12-5-1-2-6-13(12)11-14/h1-8,11H,9-10,15H2.
What are the key properties of 4-naphthalen-2-yloxybut-2-en-1-amine?
4-naphthalen-2-yloxybut-2-en-1-amine has a molecular weight of 213.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yloxybut-2-en-1-amine is sourced from PubChem (CID 77110191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).