1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(quinolin-5-ylamino)propan-2-ol

C24H25F3N2O — CID 11640246

IUPAC1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(quinolin-5-ylamino)propan-2-ol
SMILESCC1(CC(O)(CNc2cccc3ncccc23)C(F)(F)F)CCCc2ccccc21
InChIInChI=1S/C24H25F3N2O/c1-22(13-5-8-17-7-2-3-10-19(17)22)15-23(30,24(25,26)27)16-29-21-12-4-11-20-18(21)9-6-14-28-20/h2-4,6-7,9-12,14,29-30H,5,8,13,15-16H2,1H3
InChIKeyIDXIGNMGABVLIG-UHFFFAOYSA-N
MW414.47 g/mol
LogP5.62
Rot. Bonds5

About 1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(quinolin-5-ylamino)propan-2-ol

1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(quinolin-5-ylamino)propan-2-ol (PubChem CID 11640246) has the molecular formula C24H25F3N2O and a molecular weight of 414.47 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(quinolin-5-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(quinolin-5-ylamino)propan-2-ol
PubChem CID11640246
Molecular FormulaC24H25F3N2O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(quinolin-5-ylamino)propan-2-ol
SMILESCC1(CC(O)(CNc2cccc3ncccc23)C(F)(F)F)CCCc2ccccc21
InChIInChI=1S/C24H25F3N2O/c1-22(13-5-8-17-7-2-3-10-19(17)22)15-23(30,24(25,26)27)16-29-21-12-4-11-20-18(21)9-6-14-28-20/h2-4,6-7,9-12,14,29-30H,5,8,13,15-16H2,1H3
InChIKeyIDXIGNMGABVLIG-UHFFFAOYSA-N
XLogP5.62
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(quinolin-5-ylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(quinolin-5-ylamino)propan-2-ol (CID 11640246) is 1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(quinolin-5-ylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(quinolin-5-ylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(quinolin-5-ylamino)propan-2-ol is CC1(CC(O)(CNc2cccc3ncccc23)C(F)(F)F)CCCc2ccccc21.
What is the InChIKey of 1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(quinolin-5-ylamino)propan-2-ol?
The InChIKey is IDXIGNMGABVLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O/c1-22(13-5-8-17-7-2-3-10-19(17)22)15-23(30,24(25,26)27)16-29-21-12-4-11-20-18(21)9-6-14-28-20/h2-4,6-7,9-12,14,29-30H,5,8,13,15-16H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(quinolin-5-ylamino)propan-2-ol?
1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(quinolin-5-ylamino)propan-2-ol has a molecular weight of 414.47 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(quinolin-5-ylamino)propan-2-ol is sourced from PubChem (CID 11640246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).