1-(8H-benzo[7]annulen-2-yl)-3-(N-propan-2-ylanilino)propan-1-ol

C23H27NO — CID 143793938

IUPAC1-(8H-benzo[7]annulen-2-yl)-3-(N-propan-2-ylanilino)propan-1-ol
SMILESCC(C)N(CCC(O)c1ccc2c(c1)=CCC=CC=2)c1ccccc1
InChIInChI=1S/C23H27NO/c1-18(2)24(22-11-7-4-8-12-22)16-15-23(25)21-14-13-19-9-5-3-6-10-20(19)17-21/h3-5,7-14,17-18,23,25H,6,15-16H2,1-2H3
InChIKeyUXPXBTZUXOAFSJ-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.55
Rot. Bonds6

About 1-(8H-benzo[7]annulen-2-yl)-3-(N-propan-2-ylanilino)propan-1-ol

1-(8H-benzo[7]annulen-2-yl)-3-(N-propan-2-ylanilino)propan-1-ol (PubChem CID 143793938) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(8H-benzo[7]annulen-2-yl)-3-(N-propan-2-ylanilino)propan-1-ol.

Molecular Properties

Compound Name1-(8H-benzo[7]annulen-2-yl)-3-(N-propan-2-ylanilino)propan-1-ol
PubChem CID143793938
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name1-(8H-benzo[7]annulen-2-yl)-3-(N-propan-2-ylanilino)propan-1-ol
SMILESCC(C)N(CCC(O)c1ccc2c(c1)=CCC=CC=2)c1ccccc1
InChIInChI=1S/C23H27NO/c1-18(2)24(22-11-7-4-8-12-22)16-15-23(25)21-14-13-19-9-5-3-6-10-20(19)17-21/h3-5,7-14,17-18,23,25H,6,15-16H2,1-2H3
InChIKeyUXPXBTZUXOAFSJ-UHFFFAOYSA-N
XLogP3.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8H-benzo[7]annulen-2-yl)-3-(N-propan-2-ylanilino)propan-1-ol?
The IUPAC name of 1-(8H-benzo[7]annulen-2-yl)-3-(N-propan-2-ylanilino)propan-1-ol (CID 143793938) is 1-(8H-benzo[7]annulen-2-yl)-3-(N-propan-2-ylanilino)propan-1-ol.
What is the SMILES notation for 1-(8H-benzo[7]annulen-2-yl)-3-(N-propan-2-ylanilino)propan-1-ol?
The canonical SMILES for 1-(8H-benzo[7]annulen-2-yl)-3-(N-propan-2-ylanilino)propan-1-ol is CC(C)N(CCC(O)c1ccc2c(c1)=CCC=CC=2)c1ccccc1.
What is the InChIKey of 1-(8H-benzo[7]annulen-2-yl)-3-(N-propan-2-ylanilino)propan-1-ol?
The InChIKey is UXPXBTZUXOAFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c1-18(2)24(22-11-7-4-8-12-22)16-15-23(25)21-14-13-19-9-5-3-6-10-20(19)17-21/h3-5,7-14,17-18,23,25H,6,15-16H2,1-2H3.
What are the key properties of 1-(8H-benzo[7]annulen-2-yl)-3-(N-propan-2-ylanilino)propan-1-ol?
1-(8H-benzo[7]annulen-2-yl)-3-(N-propan-2-ylanilino)propan-1-ol has a molecular weight of 333.48 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8H-benzo[7]annulen-2-yl)-3-(N-propan-2-ylanilino)propan-1-ol is sourced from PubChem (CID 143793938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).