4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]fluoren-9-one

C26H27NO3 — CID 154099548

IUPAC4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]fluoren-9-one
SMILESCC(C)N(Cc1ccccc1)CC(O)COc1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C26H27NO3/c1-18(2)27(15-19-9-4-3-5-10-19)16-20(28)17-30-24-14-8-13-23-25(24)21-11-6-7-12-22(21)26(23)29/h3-14,18,20,28H,15-17H2,1-2H3
InChIKeyOPZNFCOCXAULQF-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.55
Rot. Bonds8

About 4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]fluoren-9-one

4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]fluoren-9-one (PubChem CID 154099548) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]fluoren-9-one.

Molecular Properties

Compound Name4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]fluoren-9-one
PubChem CID154099548
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]fluoren-9-one
SMILESCC(C)N(Cc1ccccc1)CC(O)COc1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C26H27NO3/c1-18(2)27(15-19-9-4-3-5-10-19)16-20(28)17-30-24-14-8-13-23-25(24)21-11-6-7-12-22(21)26(23)29/h3-14,18,20,28H,15-17H2,1-2H3
InChIKeyOPZNFCOCXAULQF-UHFFFAOYSA-N
XLogP4.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[benzyl(propan-2-yl)amino]-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol
CID 7038425
1-[benzyl(propan-2-yl)amino]-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol
CID 4303952
(2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93164105
[1-[benzyl(pentan-3-yl)amino]-3-(9-oxofluoren-4-yl)oxypropan-2-yl] 2,2-dimethylpropanoate
CID 163965859
(2S)-1-[benzyl(propan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 125487705
1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713905
4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]fluoren-9-one
CID 154145524
1-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-3-phenylmethoxypropan-2-ol
CID 42682374
(2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol
CID 7832325
1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 117067141
(2R)-1-[[(2S)-butan-2-yl]-[(3-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 99732486
9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]furo[3,2-g]chromen-5-one
CID 23620493

Frequently Asked Questions

What is the IUPAC name of 4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]fluoren-9-one?
The IUPAC name of 4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]fluoren-9-one (CID 154099548) is 4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]fluoren-9-one.
What is the SMILES notation for 4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]fluoren-9-one?
The canonical SMILES for 4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]fluoren-9-one is CC(C)N(Cc1ccccc1)CC(O)COc1cccc2c1-c1ccccc1C2=O.
What is the InChIKey of 4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]fluoren-9-one?
The InChIKey is OPZNFCOCXAULQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c1-18(2)27(15-19-9-4-3-5-10-19)16-20(28)17-30-24-14-8-13-23-25(24)21-11-6-7-12-22(21)26(23)29/h3-14,18,20,28H,15-17H2,1-2H3.
What are the key properties of 4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]fluoren-9-one?
4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]fluoren-9-one has a molecular weight of 401.51 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]fluoren-9-one is sourced from PubChem (CID 154099548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).