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

C19H26N2O — CID 39313180

IUPACN-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine
SMILESCCNCc1c(OCCN2CCCC2)ccc2ccccc12
InChIInChI=1S/C19H26N2O/c1-2-20-15-18-17-8-4-3-7-16(17)9-10-19(18)22-14-13-21-11-5-6-12-21/h3-4,7-10,20H,2,5-6,11-15H2,1H3
InChIKeyPQSBRLJKDRXPDS-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.42
Rot. Bonds7

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

N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine (PubChem CID 39313180) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine
PubChem CID39313180
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine
SMILESCCNCc1c(OCCN2CCCC2)ccc2ccccc12
InChIInChI=1S/C19H26N2O/c1-2-20-15-18-17-8-4-3-7-16(17)9-10-19(18)22-14-13-21-11-5-6-12-21/h3-4,7-10,20H,2,5-6,11-15H2,1H3
InChIKeyPQSBRLJKDRXPDS-UHFFFAOYSA-N
XLogP3.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-chloro-6-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 114319127
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-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine
CID 104804665
N-[[2-chloro-6-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 114319064
1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine
CID 63529278
N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine
CID 82926082
2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol
CID 57388624
N-[(2-ethoxynaphthalen-1-yl)methyl]-2-morpholin-4-ylethanamine;hydrochloride
CID 6603331
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-propoxynaphthalen-1-yl)methyl]methanamine
CID 29241758
N-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine
CID 62311911

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine (CID 39313180) is N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine is CCNCc1c(OCCN2CCCC2)ccc2ccccc12.
What is the InChIKey of N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine?
The InChIKey is PQSBRLJKDRXPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-2-20-15-18-17-8-4-3-7-16(17)9-10-19(18)22-14-13-21-11-5-6-12-21/h3-4,7-10,20H,2,5-6,11-15H2,1H3.
What are the key properties of N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine?
N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine has a molecular weight of 298.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine is sourced from PubChem (CID 39313180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).