N-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine

C18H21NO — CID 104804665

IUPACN-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine
SMILESCC#CCCOc1ccc2ccccc2c1CNCC
InChIInChI=1S/C18H21NO/c1-3-5-8-13-20-18-12-11-15-9-6-7-10-16(15)17(18)14-19-4-2/h6-7,9-12,19H,4,8,13-14H2,1-2H3
InChIKeySZLUBSDYFAHYRF-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.74
Rot. Bonds6

About N-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine

N-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine (PubChem CID 104804665) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine
PubChem CID104804665
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine
SMILESCC#CCCOc1ccc2ccccc2c1CNCC
InChIInChI=1S/C18H21NO/c1-3-5-8-13-20-18-12-11-15-9-6-7-10-16(15)17(18)14-19-4-2/h6-7,9-12,19H,4,8,13-14H2,1-2H3
InChIKeySZLUBSDYFAHYRF-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine
CID 62311911
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 54804704
2-[1-(ethylaminomethyl)naphthalen-2-yl]oxy-N,N-dimethylethanamine
CID 39290120
2-[2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyethoxy]ethanol
CID 61070673
N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine
CID 82926082
N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 39313180
1-pent-3-ynoxynaphthalene
CID 54390918
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-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335

Frequently Asked Questions

What is the IUPAC name of N-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine?
The IUPAC name of N-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine (CID 104804665) is N-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine is CC#CCCOc1ccc2ccccc2c1CNCC.
What is the InChIKey of N-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine?
The InChIKey is SZLUBSDYFAHYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-5-8-13-20-18-12-11-15-9-6-7-10-16(15)17(18)14-19-4-2/h6-7,9-12,19H,4,8,13-14H2,1-2H3.
What are the key properties of N-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine?
N-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine is sourced from PubChem (CID 104804665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).