benzene;1-[2-(3-fluorophenoxy)ethyl]-3-propylazetidine;5,6,7,8-tetrahydronaphthalen-2-ol

C30H38FNO2 — CID 145309195

IUPACbenzene;1-[2-(3-fluorophenoxy)ethyl]-3-propylazetidine;5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCC1CN(CCOc2cccc(F)c2)C1.Oc1ccc2c(c1)CCCC2.c1ccccc1
InChIInChI=1S/C14H20FNO.C10H12O.C6H6/c1-2-4-12-10-16(11-12)7-8-17-14-6-3-5-13(15)9-14;11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-4-6-5-3-1/h3,5-6,9,12H,2,4,7-8,10-11H2,1H3;5-7,11H,1-4H2;1-6H
InChIKeyULINSWAVCLDWOI-UHFFFAOYSA-N
MW463.64 g/mol
LogP6.89
Rot. Bonds6

About benzene;1-[2-(3-fluorophenoxy)ethyl]-3-propylazetidine;5,6,7,8-tetrahydronaphthalen-2-ol

benzene;1-[2-(3-fluorophenoxy)ethyl]-3-propylazetidine;5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 145309195) has the molecular formula C30H38FNO2 and a molecular weight of 463.64 g/mol. Its IUPAC name is benzene;1-[2-(3-fluorophenoxy)ethyl]-3-propylazetidine;5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Namebenzene;1-[2-(3-fluorophenoxy)ethyl]-3-propylazetidine;5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID145309195
Molecular FormulaC30H38FNO2
Molecular Weight463.64 g/mol
Exact Mass463.29
IUPAC Namebenzene;1-[2-(3-fluorophenoxy)ethyl]-3-propylazetidine;5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCC1CN(CCOc2cccc(F)c2)C1.Oc1ccc2c(c1)CCCC2.c1ccccc1
InChIInChI=1S/C14H20FNO.C10H12O.C6H6/c1-2-4-12-10-16(11-12)7-8-17-14-6-3-5-13(15)9-14;11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-4-6-5-3-1/h3,5-6,9,12H,2,4,7-8,10-11H2,1H3;5-7,11H,1-4H2;1-6H
InChIKeyULINSWAVCLDWOI-UHFFFAOYSA-N
XLogP6.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.64
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzene;1-methyl-3-(2-phenoxyethyl)azetidine;5,6,7,8-tetrahydronaphthalen-2-ol
CID 145309213
acetylene;1,1-difluorocyclohexane;3-(fluoromethyl)-1-(2-phenoxyethyl)azetidine;5,6,7,8-tetrahydronaphthalen-2-ol
CID 145309212
1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine
CID 119919442
3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline
CID 63515935
N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915269
2-(2,2-difluoropropyl)-1-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-1,3,4,5-tetrahydro-2-benzazepin-7-ol
CID 134501688
6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene
CID 63457392
2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
CID 8506094
acetylene;3-[2-hydroxyethyl-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]amino]phenol;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915185
3-(fluoromethyl)-1-(2-phenoxyethyl)azetidine;3-(5-fluoro-2-methylphenyl)-4-methyl-2H-chromen-6-ol
CID 145102646
N-[(3aR,4S,8bR)-2-[2-(3-fluorophenoxy)ethyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid
CID 155868363
1-[2-(3-fluorophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide
CID 46444102

Frequently Asked Questions

What is the IUPAC name of benzene;1-[2-(3-fluorophenoxy)ethyl]-3-propylazetidine;5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of benzene;1-[2-(3-fluorophenoxy)ethyl]-3-propylazetidine;5,6,7,8-tetrahydronaphthalen-2-ol (CID 145309195) is benzene;1-[2-(3-fluorophenoxy)ethyl]-3-propylazetidine;5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for benzene;1-[2-(3-fluorophenoxy)ethyl]-3-propylazetidine;5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for benzene;1-[2-(3-fluorophenoxy)ethyl]-3-propylazetidine;5,6,7,8-tetrahydronaphthalen-2-ol is CCCC1CN(CCOc2cccc(F)c2)C1.Oc1ccc2c(c1)CCCC2.c1ccccc1.
What is the InChIKey of benzene;1-[2-(3-fluorophenoxy)ethyl]-3-propylazetidine;5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is ULINSWAVCLDWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO.C10H12O.C6H6/c1-2-4-12-10-16(11-12)7-8-17-14-6-3-5-13(15)9-14;11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-4-6-5-3-1/h3,5-6,9,12H,2,4,7-8,10-11H2,1H3;5-7,11H,1-4H2;1-6H.
What are the key properties of benzene;1-[2-(3-fluorophenoxy)ethyl]-3-propylazetidine;5,6,7,8-tetrahydronaphthalen-2-ol?
benzene;1-[2-(3-fluorophenoxy)ethyl]-3-propylazetidine;5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 463.64 g/mol, XLogP of 6.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-[2-(3-fluorophenoxy)ethyl]-3-propylazetidine;5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 145309195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).