2,2-difluoro-3-[1-(5-methyl-1H-indol-3-yl)propan-2-ylamino]propan-1-ol

C15H20F2N2O — CID 174234138

IUPAC2,2-difluoro-3-[1-(5-methyl-1H-indol-3-yl)propan-2-ylamino]propan-1-ol
SMILESCc1ccc2[nH]cc(CC(C)NCC(F)(F)CO)c2c1
InChIInChI=1S/C15H20F2N2O/c1-10-3-4-14-13(5-10)12(7-18-14)6-11(2)19-8-15(16,17)9-20/h3-5,7,11,18-20H,6,8-9H2,1-2H3
InChIKeyBCTNYNMBKQEPGF-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.62
Rot. Bonds6

About 2,2-difluoro-3-[1-(5-methyl-1H-indol-3-yl)propan-2-ylamino]propan-1-ol

2,2-difluoro-3-[1-(5-methyl-1H-indol-3-yl)propan-2-ylamino]propan-1-ol (PubChem CID 174234138) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 2,2-difluoro-3-[1-(5-methyl-1H-indol-3-yl)propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[1-(5-methyl-1H-indol-3-yl)propan-2-ylamino]propan-1-ol
PubChem CID174234138
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name2,2-difluoro-3-[1-(5-methyl-1H-indol-3-yl)propan-2-ylamino]propan-1-ol
SMILESCc1ccc2[nH]cc(CC(C)NCC(F)(F)CO)c2c1
InChIInChI=1S/C15H20F2N2O/c1-10-3-4-14-13(5-10)12(7-18-14)6-11(2)19-8-15(16,17)9-20/h3-5,7,11,18-20H,6,8-9H2,1-2H3
InChIKeyBCTNYNMBKQEPGF-UHFFFAOYSA-N
XLogP2.62
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol
CID 121410502
2,2-difluoro-3-[1-(6H-thieno[2,3-b]pyrrol-4-yl)propan-2-ylamino]propan-1-ol
CID 167432678
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine
CID 162616789
2-[3-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-1H-indol-5-yl]phenol
CID 166792346
2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol
CID 66932814
tert-butyl-[2,2-difluoro-3-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]propoxy]-diphenylsilanuide
CID 162617200
1-(5-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117195576
2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane
CID 145142449
2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;hydrate
CID 18530245
(2S)-2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 21122035
3-(5-methyl-1H-indol-3-yl)-2-(oxoboranylmethylamino)propanoic acid
CID 54078540
2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine
CID 130300765

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[1-(5-methyl-1H-indol-3-yl)propan-2-ylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[1-(5-methyl-1H-indol-3-yl)propan-2-ylamino]propan-1-ol (CID 174234138) is 2,2-difluoro-3-[1-(5-methyl-1H-indol-3-yl)propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[1-(5-methyl-1H-indol-3-yl)propan-2-ylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[1-(5-methyl-1H-indol-3-yl)propan-2-ylamino]propan-1-ol is Cc1ccc2[nH]cc(CC(C)NCC(F)(F)CO)c2c1.
What is the InChIKey of 2,2-difluoro-3-[1-(5-methyl-1H-indol-3-yl)propan-2-ylamino]propan-1-ol?
The InChIKey is BCTNYNMBKQEPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-10-3-4-14-13(5-10)12(7-18-14)6-11(2)19-8-15(16,17)9-20/h3-5,7,11,18-20H,6,8-9H2,1-2H3.
What are the key properties of 2,2-difluoro-3-[1-(5-methyl-1H-indol-3-yl)propan-2-ylamino]propan-1-ol?
2,2-difluoro-3-[1-(5-methyl-1H-indol-3-yl)propan-2-ylamino]propan-1-ol has a molecular weight of 282.33 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[1-(5-methyl-1H-indol-3-yl)propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 174234138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).