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

C21H23NO — CID 54804704

IUPACN-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine
SMILESCCNCc1c(OCCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C21H23NO/c1-2-22-16-20-19-11-7-6-10-18(19)12-13-21(20)23-15-14-17-8-4-3-5-9-17/h3-13,22H,2,14-16H2,1H3
InChIKeyNOCGQFZFQPFGIN-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.57
Rot. Bonds7

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

N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine (PubChem CID 54804704) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine
PubChem CID54804704
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC NameN-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine
SMILESCCNCc1c(OCCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C21H23NO/c1-2-22-16-20-19-11-7-6-10-18(19)12-13-21(20)23-15-14-17-8-4-3-5-9-17/h3-13,22H,2,14-16H2,1H3
InChIKeyNOCGQFZFQPFGIN-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54804070
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-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54803978
N-[(2-pent-3-ynoxynaphthalen-1-yl)methyl]ethanamine
CID 104804665
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine
CID 54804539
N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine
CID 82926082
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054851
N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 39313180
N-[(2-but-2-ynoxynaphthalen-1-yl)methyl]ethanamine
CID 62311911
2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053536
2-(2-phenylethoxy)naphthalene-1-carbaldehyde
CID 22687262

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine (CID 54804704) is N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine is CCNCc1c(OCCc2ccccc2)ccc2ccccc12.
What is the InChIKey of N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine?
The InChIKey is NOCGQFZFQPFGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-2-22-16-20-19-11-7-6-10-18(19)12-13-21(20)23-15-14-17-8-4-3-5-9-17/h3-13,22H,2,14-16H2,1H3.
What are the key properties of N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine?
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine has a molecular weight of 305.42 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine is sourced from PubChem (CID 54804704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).