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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Related Compounds

3-(4-chloro-N-propan-2-ylanilino)-1-naphthalen-2-ylpropan-1-ol
CID 59570736
(2S)-2-amino-4-(N-propan-2-ylanilino)butanoic acid
CID 172529241
1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol
CID 82074437
1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol
CID 82071747
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(N-methylanilino)propan-1-ol
CID 82073633
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
CID 62617951
1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol
CID 82073662
1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
CID 62643881
2-(N-propan-2-ylanilino)ethane-1,1,1-triol
CID 54242870
1-N,3-N-bis(3-methylbutyl)-1-N,3-N-di(propan-2-yl)benzene-1,3-diamine
CID 135274435
3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol
CID 59570751
3-[methyl(2-methylpropyl)amino]-1-phenylpropan-1-ol
CID 62613916

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).