N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine

C19H27NO — CID 82926082

IUPACN-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine
SMILESCCNCc1c(OCC(CC)CC)ccc2ccccc12
InChIInChI=1S/C19H27NO/c1-4-15(5-2)14-21-19-12-11-16-9-7-8-10-17(16)18(19)13-20-6-3/h7-12,15,20H,4-6,13-14H2,1-3H3
InChIKeyNVWRXBOLIZHUJM-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.76
Rot. Bonds8

About N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine

N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine (PubChem CID 82926082) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine
PubChem CID82926082
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine
SMILESCCNCc1c(OCC(CC)CC)ccc2ccccc12
InChIInChI=1S/C19H27NO/c1-4-15(5-2)14-21-19-12-11-16-9-7-8-10-17(16)18(19)13-20-6-3/h7-12,15,20H,4-6,13-14H2,1-3H3
InChIKeyNVWRXBOLIZHUJM-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]ethanamine
CID 43505535
1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol
CID 60889616
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 54804704
N-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine
CID 62311911
2-[1-(ethylaminomethyl)naphthalen-2-yl]oxy-N,N-dimethylethanamine
CID 39290120
2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053536
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054851
2-[2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyethoxy]ethanol
CID 61070673
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-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine
CID 104804665
N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
CID 44531940

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine (CID 82926082) is N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine is CCNCc1c(OCC(CC)CC)ccc2ccccc12.
What is the InChIKey of N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine?
The InChIKey is NVWRXBOLIZHUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-4-15(5-2)14-21-19-12-11-16-9-7-8-10-17(16)18(19)13-20-6-3/h7-12,15,20H,4-6,13-14H2,1-3H3.
What are the key properties of N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine?
N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine has a molecular weight of 285.43 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine is sourced from PubChem (CID 82926082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).