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

C20H20ClNO — CID 4716502

IUPACN-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
SMILESCCNCc1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C20H20ClNO/c1-2-22-13-18-17-9-5-3-7-15(17)11-12-20(18)23-14-16-8-4-6-10-19(16)21/h3-12,22H,2,13-14H2,1H3
InChIKeyWWABZNKEEWZCFX-UHFFFAOYSA-N
MW325.84 g/mol
LogP5.18
Rot. Bonds6

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

N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine (PubChem CID 4716502) has the molecular formula C20H20ClNO and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
PubChem CID4716502
Molecular FormulaC20H20ClNO
Molecular Weight325.84 g/mol
Exact Mass325.12
IUPAC NameN-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
SMILESCCNCc1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C20H20ClNO/c1-2-22-13-18-17-9-5-3-7-15(17)11-12-20(18)23-14-16-8-4-6-10-19(16)21/h3-12,22H,2,13-14H2,1H3
InChIKeyWWABZNKEEWZCFX-UHFFFAOYSA-N
XLogP5.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.84
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine
CID 4722236
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine
CID 4717903
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724097
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207194
2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155181
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209602
N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine
CID 17215574
1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17289773
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054851
1-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine
CID 54849395
N-[[2-(thiophen-2-ylmethoxy)naphthalen-1-yl]methyl]ethanamine
CID 60889619
N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine
CID 82926082

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine (CID 4716502) is N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine is CCNCc1c(OCc2ccccc2Cl)ccc2ccccc12.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine?
The InChIKey is WWABZNKEEWZCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO/c1-2-22-13-18-17-9-5-3-7-15(17)11-12-20(18)23-14-16-8-4-6-10-19(16)21/h3-12,22H,2,13-14H2,1H3.
What are the key properties of N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine?
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine has a molecular weight of 325.84 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine is sourced from PubChem (CID 4716502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).