ethane;2-[[8-(4-phosphanylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethanamine

C18H32N3OP — CID 90811726

IUPACethane;2-[[8-(4-phosphanylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethanamine
SMILESCC.NCCOc1ccc2c(c1)C(N1CCN(P)CC1)CCC2
InChIInChI=1S/C16H26N3OP.C2H6/c17-6-11-20-14-5-4-13-2-1-3-16(15(13)12-14)18-7-9-19(21)10-8-18;1-2/h4-5,12,16H,1-3,6-11,17,21H2;1-2H3
InChIKeyYPGAUBVSFCBLLE-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.84
Rot. Bonds4

About ethane;2-[[8-(4-phosphanylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethanamine

ethane;2-[[8-(4-phosphanylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethanamine (PubChem CID 90811726) has the molecular formula C18H32N3OP and a molecular weight of 337.45 g/mol. Its IUPAC name is ethane;2-[[8-(4-phosphanylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethanamine.

Molecular Properties

Compound Nameethane;2-[[8-(4-phosphanylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethanamine
PubChem CID90811726
Molecular FormulaC18H32N3OP
Molecular Weight337.45 g/mol
Exact Mass337.23
IUPAC Nameethane;2-[[8-(4-phosphanylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethanamine
SMILESCC.NCCOc1ccc2c(c1)C(N1CCN(P)CC1)CCC2
InChIInChI=1S/C16H26N3OP.C2H6/c17-6-11-20-14-5-4-13-2-1-3-16(15(13)12-14)18-7-9-19(21)10-8-18;1-2/h4-5,12,16H,1-3,6-11,17,21H2;1-2H3
InChIKeyYPGAUBVSFCBLLE-UHFFFAOYSA-N
XLogP2.84
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]piperidine
CID 24771108
9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 143379957
[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine
CID 79248149
2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine
CID 79234770
[4-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)morpholin-2-yl]methanamine
CID 114398008
1-[7-(deuteriomethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine;ethane
CID 91603209
(8R)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 129395359
1-[6-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 24771157
1-methyl-4-[7-(1,1,2,2-tetrafluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine
CID 87924366
2-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)oxy]ethanamine
CID 84674571
8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 105470466
2-[(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethanol
CID 103719192

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[8-(4-phosphanylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethanamine?
The IUPAC name of ethane;2-[[8-(4-phosphanylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethanamine (CID 90811726) is ethane;2-[[8-(4-phosphanylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethanamine.
What is the SMILES notation for ethane;2-[[8-(4-phosphanylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethanamine?
The canonical SMILES for ethane;2-[[8-(4-phosphanylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethanamine is CC.NCCOc1ccc2c(c1)C(N1CCN(P)CC1)CCC2.
What is the InChIKey of ethane;2-[[8-(4-phosphanylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethanamine?
The InChIKey is YPGAUBVSFCBLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N3OP.C2H6/c17-6-11-20-14-5-4-13-2-1-3-16(15(13)12-14)18-7-9-19(21)10-8-18;1-2/h4-5,12,16H,1-3,6-11,17,21H2;1-2H3.
What are the key properties of ethane;2-[[8-(4-phosphanylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethanamine?
ethane;2-[[8-(4-phosphanylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethanamine has a molecular weight of 337.45 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[8-(4-phosphanylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethanamine is sourced from PubChem (CID 90811726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).