ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine

C13H17F3N2 — CID 143255366

IUPACethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine
SMILESCC.NC(Cc1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C11H11F3N2.C2H6/c12-11(13,14)10(15)5-7-6-16-9-4-2-1-3-8(7)9;1-2/h1-4,6,10,16H,5,15H2;1-2H3
InChIKeyMMLKABUSVKVFMN-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.63
Rot. Bonds2

About ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine

ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine (PubChem CID 143255366) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Nameethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine
PubChem CID143255366
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Nameethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine
SMILESCC.NC(Cc1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C11H11F3N2.C2H6/c12-11(13,14)10(15)5-7-6-16-9-4-2-1-3-8(7)9;1-2/h1-4,6,10,16H,5,15H2;1-2H3
InChIKeyMMLKABUSVKVFMN-UHFFFAOYSA-N
XLogP3.63
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
1-(1H-indol-3-yl)butan-2-amine
CID 8367
(4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140660880
3-(2-fluoropropyl)-1H-indole
CID 142409179
CID 90360713
CID 90360713
2-amino-3-(1H-indol-3-yl)propanal;methanol
CID 144925794
(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140726561
2-amino-3-(1H-indol-3-yl)propanal;methoxymethane
CID 144925786
2-fluoro-3-(1H-indol-3-yl)propan-1-amine
CID 134163133
3-(3-bromo-2-fluoropropyl)-1H-indole
CID 134163131
(2S)-2-amino-3-(1H-indol-3-yl)propane-1-thiol
CID 141276823
(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride
CID 175991895

Frequently Asked Questions

What is the IUPAC name of ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine?
The IUPAC name of ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine (CID 143255366) is ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine?
The canonical SMILES for ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine is CC.NC(Cc1c[nH]c2ccccc12)C(F)(F)F.
What is the InChIKey of ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine?
The InChIKey is MMLKABUSVKVFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2.C2H6/c12-11(13,14)10(15)5-7-6-16-9-4-2-1-3-8(7)9;1-2/h1-4,6,10,16H,5,15H2;1-2H3.
What are the key properties of ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine?
ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine has a molecular weight of 258.29 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 143255366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).