N-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine

C17H19NO — CID 62311911

IUPACN-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine
SMILESCC#CCOc1ccc2ccccc2c1CNCC
InChIInChI=1S/C17H19NO/c1-3-5-12-19-17-11-10-14-8-6-7-9-15(14)16(17)13-18-4-2/h6-11,18H,4,12-13H2,1-2H3
InChIKeyGMDYCZLGMVNVPU-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.35
Rot. Bonds5

About N-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine

N-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine (PubChem CID 62311911) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine
PubChem CID62311911
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine
SMILESCC#CCOc1ccc2ccccc2c1CNCC
InChIInChI=1S/C17H19NO/c1-3-5-12-19-17-11-10-14-8-6-7-9-15(14)16(17)13-18-4-2/h6-11,18H,4,12-13H2,1-2H3
InChIKeyGMDYCZLGMVNVPU-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine
CID 104804665
N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine
CID 82926082
2-[1-(ethylaminomethyl)naphthalen-2-yl]oxy-N,N-dimethylethanamine
CID 39290120
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 54804704
2-[2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyethoxy]ethanol
CID 61070673
2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053536
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054851
N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215613
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4716502
N-[[2-(thiophen-2-ylmethoxy)naphthalen-1-yl]methyl]ethanamine
CID 60889619
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]ethanamine
CID 43505535
N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 39313180

Frequently Asked Questions

What is the IUPAC name of N-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine?
The IUPAC name of N-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine (CID 62311911) is N-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine is CC#CCOc1ccc2ccccc2c1CNCC.
What is the InChIKey of N-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine?
The InChIKey is GMDYCZLGMVNVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-5-12-19-17-11-10-14-8-6-7-9-15(14)16(17)13-18-4-2/h6-11,18H,4,12-13H2,1-2H3.
What are the key properties of N-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine?
N-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine has a molecular weight of 253.34 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine is sourced from PubChem (CID 62311911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).