N-[[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine

C30H31FN2O2 — CID 123943541

IUPACN-[[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCc2cc(-c3cc(F)cc(N4CCOCC4)c3)c3ccccc3c2)c1
InChIInChI=1S/C30H31FN2O2/c1-21(23-7-5-8-28(18-23)34-2)32-20-22-14-24-6-3-4-9-29(24)30(15-22)25-16-26(31)19-27(17-25)33-10-12-35-13-11-33/h3-9,14-19,21,32H,10-13,20H2,1-2H3
InChIKeyCTDRXZVDQIBCLR-UHFFFAOYSA-N
MW470.59 g/mol
LogP6.34
Rot. Bonds7

About N-[[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine

N-[[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 123943541) has the molecular formula C30H31FN2O2 and a molecular weight of 470.59 g/mol. Its IUPAC name is N-[[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID123943541
Molecular FormulaC30H31FN2O2
Molecular Weight470.59 g/mol
Exact Mass470.24
IUPAC NameN-[[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCc2cc(-c3cc(F)cc(N4CCOCC4)c3)c3ccccc3c2)c1
InChIInChI=1S/C30H31FN2O2/c1-21(23-7-5-8-28(18-23)34-2)32-20-22-14-24-6-3-4-9-29(24)30(15-22)25-16-26(31)19-27(17-25)33-10-12-35-13-11-33/h3-9,14-19,21,32H,10-13,20H2,1-2H3
InChIKeyCTDRXZVDQIBCLR-UHFFFAOYSA-N
XLogP6.34
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine with MolForge

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Related Compounds

{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-amine
CID 10453320
(2R)-1-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phenyl)-2-[(naphthalen-2-yloxy)methyl]piperazine
CID 23647865
N-[2-(3-(3-Methylaminophenyl)-7-methoxynaphth-1-yl)ethyl]acetamide
CID 44579115
N-[2-(3-(3-Dimethylaminophenyl)-7-methoxynaphth-1-yl)ethyl]acetamide
CID 44579163
{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-(7-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-amine
CID 10408398
4-(6-(2-(2-(2-fluoroethoxy)ethoxy)ethoxy)naphthalen-2-yl)-N-methylbenzenamine
CID 56662842
6-(4-(2-(2-(2-fluoroethoxy)ethoxy)ethoxy)phenyl)-N-methylnaphthalen-2-amine
CID 56673238
(2S,3R)-8-morpholin-4-yl-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine
CID 130391940
(2R)-1-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phenyl)-2-[(naphthalen-2-ylmethoxy)methyl]piperazine
CID 23647866
{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-amine
CID 10692100
{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-((S)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-amine
CID 10786888
1-[4-(3-Methoxy-phenyl)-cyclohex-3-enyl]-4-naphthalen-1-yl-piperazine
CID 10862233

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine (CID 123943541) is N-[[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(C)NCc2cc(-c3cc(F)cc(N4CCOCC4)c3)c3ccccc3c2)c1.
What is the InChIKey of N-[[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is CTDRXZVDQIBCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN2O2/c1-21(23-7-5-8-28(18-23)34-2)32-20-22-14-24-6-3-4-9-29(24)30(15-22)25-16-26(31)19-27(17-25)33-10-12-35-13-11-33/h3-9,14-19,21,32H,10-13,20H2,1-2H3.
What are the key properties of N-[[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine?
N-[[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 470.59 g/mol, XLogP of 6.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluoro-5-morpholin-4-ylphenyl)naphthalen-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 123943541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).