1-(8,9-dihydro-7H-benzo[7]annulen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol;ethane

C19H31NO2 — CID 142138420

IUPAC1-(8,9-dihydro-7H-benzo[7]annulen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol;ethane
SMILESCC.CC(C)NCC(O)COc1cccc2c1CCCC=C2
InChIInChI=1S/C17H25NO2.C2H6/c1-13(2)18-11-15(19)12-20-17-10-6-8-14-7-4-3-5-9-16(14)17;1-2/h4,6-8,10,13,15,18-19H,3,5,9,11-12H2,1-2H3;1-2H3
InChIKeyJGLPQCOIGSFYEU-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.80
Rot. Bonds6

About 1-(8,9-dihydro-7H-benzo[7]annulen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol;ethane

1-(8,9-dihydro-7H-benzo[7]annulen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol;ethane (PubChem CID 142138420) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 1-(8,9-dihydro-7H-benzo[7]annulen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol;ethane.

Molecular Properties

Compound Name1-(8,9-dihydro-7H-benzo[7]annulen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol;ethane
PubChem CID142138420
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name1-(8,9-dihydro-7H-benzo[7]annulen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol;ethane
SMILESCC.CC(C)NCC(O)COc1cccc2c1CCCC=C2
InChIInChI=1S/C17H25NO2.C2H6/c1-13(2)18-11-15(19)12-20-17-10-6-8-14-7-4-3-5-9-16(14)17;1-2/h4,6-8,10,13,15,18-19H,3,5,9,11-12H2,1-2H3;1-2H3
InChIKeyJGLPQCOIGSFYEU-UHFFFAOYSA-N
XLogP3.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(8,9-dihydro-7H-benzo[7]annulen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol;ethane with MolForge

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Related Compounds

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(2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 656619
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CID 23615940
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CID 13055703
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol
CID 11242136
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810
1-[2-(2,3-dibromopropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 11329315
1-[(3-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 3072982

Frequently Asked Questions

What is the IUPAC name of 1-(8,9-dihydro-7H-benzo[7]annulen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol;ethane?
The IUPAC name of 1-(8,9-dihydro-7H-benzo[7]annulen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol;ethane (CID 142138420) is 1-(8,9-dihydro-7H-benzo[7]annulen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol;ethane.
What is the SMILES notation for 1-(8,9-dihydro-7H-benzo[7]annulen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol;ethane?
The canonical SMILES for 1-(8,9-dihydro-7H-benzo[7]annulen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol;ethane is CC.CC(C)NCC(O)COc1cccc2c1CCCC=C2.
What is the InChIKey of 1-(8,9-dihydro-7H-benzo[7]annulen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol;ethane?
The InChIKey is JGLPQCOIGSFYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2.C2H6/c1-13(2)18-11-15(19)12-20-17-10-6-8-14-7-4-3-5-9-16(14)17;1-2/h4,6-8,10,13,15,18-19H,3,5,9,11-12H2,1-2H3;1-2H3.
What are the key properties of 1-(8,9-dihydro-7H-benzo[7]annulen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol;ethane?
1-(8,9-dihydro-7H-benzo[7]annulen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol;ethane has a molecular weight of 305.46 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8,9-dihydro-7H-benzo[7]annulen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol;ethane is sourced from PubChem (CID 142138420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).