N-[1-[3-[3-(1,1-difluoroethoxy)phenyl]phenyl]ethenyl]-4-(3-morpholin-4-ylpropyl)naphthalen-1-amine

C33H34F2N2O2 — CID 143171240

IUPACN-[1-[3-[3-(1,1-difluoroethoxy)phenyl]phenyl]ethenyl]-4-(3-morpholin-4-ylpropyl)naphthalen-1-amine
SMILESC=C(Nc1ccc(CCCN2CCOCC2)c2ccccc12)c1cccc(-c2cccc(OC(C)(F)F)c2)c1
InChIInChI=1S/C33H34F2N2O2/c1-24(26-8-5-9-27(22-26)28-10-6-12-29(23-28)39-33(2,34)35)36-32-16-15-25(30-13-3-4-14-31(30)32)11-7-17-37-18-20-38-21-19-37/h3-6,8-10,12-16,22-23,36H,1,7,11,17-21H2,2H3
InChIKeySERWXMJJXZDWCN-UHFFFAOYSA-N
MW528.64 g/mol
LogP7.85
Rot. Bonds10

About N-[1-[3-[3-(1,1-difluoroethoxy)phenyl]phenyl]ethenyl]-4-(3-morpholin-4-ylpropyl)naphthalen-1-amine

N-[1-[3-[3-(1,1-difluoroethoxy)phenyl]phenyl]ethenyl]-4-(3-morpholin-4-ylpropyl)naphthalen-1-amine (PubChem CID 143171240) has the molecular formula C33H34F2N2O2 and a molecular weight of 528.64 g/mol. Its IUPAC name is N-[1-[3-[3-(1,1-difluoroethoxy)phenyl]phenyl]ethenyl]-4-(3-morpholin-4-ylpropyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[1-[3-[3-(1,1-difluoroethoxy)phenyl]phenyl]ethenyl]-4-(3-morpholin-4-ylpropyl)naphthalen-1-amine
PubChem CID143171240
Molecular FormulaC33H34F2N2O2
Molecular Weight528.64 g/mol
Exact Mass528.26
IUPAC NameN-[1-[3-[3-(1,1-difluoroethoxy)phenyl]phenyl]ethenyl]-4-(3-morpholin-4-ylpropyl)naphthalen-1-amine
SMILESC=C(Nc1ccc(CCCN2CCOCC2)c2ccccc12)c1cccc(-c2cccc(OC(C)(F)F)c2)c1
InChIInChI=1S/C33H34F2N2O2/c1-24(26-8-5-9-27(22-26)28-10-6-12-29(23-28)39-33(2,34)35)36-32-16-15-25(30-13-3-4-14-31(30)32)11-7-17-37-18-20-38-21-19-37/h3-6,8-10,12-16,22-23,36H,1,7,11,17-21H2,2H3
InChIKeySERWXMJJXZDWCN-UHFFFAOYSA-N
XLogP7.85
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.64
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-1-(4-(3-Methoxyphenyl)cyclohexyl)-4-(naphthalen-1-yl)piperazine
CID 10938233
2,2,4-Trimethyl-5-(3-trifluoromethyl-phenyl)-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 10070808
2-[8-(4-Methyl-piperazin-1-yl)-naphthalen-2-yloxy]-1-[4-(2,4,6-trimethyl-phenyl)-piperazin-1-yl]-ethanone
CID 10791125
2,8-Dimethoxy-5-[4-[2-(1-piperidinyl)ethoxy]phenyl]-6H-benzo[c]phenanthridine
CID 10918038
1,1,1-trifluoro-3-(5-(3-methoxyphenyl)-2-(3-(1,1,2,2-tetrafluoroethoxy)phenyl)-3,4-dihydroquinolin-1(2H)-yl)propan-2-ol
CID 24775568
1,1,1-trifluoro-3-(2-(3-(1,1,2,2-tetrafluoroethoxy)phenyl)-5-(3-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)propan-2-ol
CID 24775748
(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
(5Z)-5-[(3-methoxyphenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 10786881
2-[(Z)-(9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N-dimethylaniline
CID 10906044
N-(2-phenoxyethyl)-2-[2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-1-yl]aniline
CID 42598727
2-[7-methoxy-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-1-yl]-N-(2-phenoxyethyl)aniline
CID 42598963

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[3-(1,1-difluoroethoxy)phenyl]phenyl]ethenyl]-4-(3-morpholin-4-ylpropyl)naphthalen-1-amine?
The IUPAC name of N-[1-[3-[3-(1,1-difluoroethoxy)phenyl]phenyl]ethenyl]-4-(3-morpholin-4-ylpropyl)naphthalen-1-amine (CID 143171240) is N-[1-[3-[3-(1,1-difluoroethoxy)phenyl]phenyl]ethenyl]-4-(3-morpholin-4-ylpropyl)naphthalen-1-amine.
What is the SMILES notation for N-[1-[3-[3-(1,1-difluoroethoxy)phenyl]phenyl]ethenyl]-4-(3-morpholin-4-ylpropyl)naphthalen-1-amine?
The canonical SMILES for N-[1-[3-[3-(1,1-difluoroethoxy)phenyl]phenyl]ethenyl]-4-(3-morpholin-4-ylpropyl)naphthalen-1-amine is C=C(Nc1ccc(CCCN2CCOCC2)c2ccccc12)c1cccc(-c2cccc(OC(C)(F)F)c2)c1.
What is the InChIKey of N-[1-[3-[3-(1,1-difluoroethoxy)phenyl]phenyl]ethenyl]-4-(3-morpholin-4-ylpropyl)naphthalen-1-amine?
The InChIKey is SERWXMJJXZDWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F2N2O2/c1-24(26-8-5-9-27(22-26)28-10-6-12-29(23-28)39-33(2,34)35)36-32-16-15-25(30-13-3-4-14-31(30)32)11-7-17-37-18-20-38-21-19-37/h3-6,8-10,12-16,22-23,36H,1,7,11,17-21H2,2H3.
What are the key properties of N-[1-[3-[3-(1,1-difluoroethoxy)phenyl]phenyl]ethenyl]-4-(3-morpholin-4-ylpropyl)naphthalen-1-amine?
N-[1-[3-[3-(1,1-difluoroethoxy)phenyl]phenyl]ethenyl]-4-(3-morpholin-4-ylpropyl)naphthalen-1-amine has a molecular weight of 528.64 g/mol, XLogP of 7.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[3-(1,1-difluoroethoxy)phenyl]phenyl]ethenyl]-4-(3-morpholin-4-ylpropyl)naphthalen-1-amine is sourced from PubChem (CID 143171240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).