1-(1H-indol-3-yl)-3-methoxypropan-2-amine;2,2,2-trifluoroacetic acid

C14H17F3N2O3 — CID 139431923

IUPAC1-(1H-indol-3-yl)-3-methoxypropan-2-amine;2,2,2-trifluoroacetic acid
SMILESCOCC(N)Cc1c[nH]c2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C12H16N2O.C2HF3O2/c1-15-8-10(13)6-9-7-14-12-5-3-2-4-11(9)12;3-2(4,5)1(6)7/h2-5,7,10,14H,6,8,13H2,1H3;(H,6,7)
InChIKeyHTBWDBASRLXTBB-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.32
Rot. Bonds4

About 1-(1H-indol-3-yl)-3-methoxypropan-2-amine;2,2,2-trifluoroacetic acid

1-(1H-indol-3-yl)-3-methoxypropan-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 139431923) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-3-methoxypropan-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-3-methoxypropan-2-amine;2,2,2-trifluoroacetic acid
PubChem CID139431923
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Name1-(1H-indol-3-yl)-3-methoxypropan-2-amine;2,2,2-trifluoroacetic acid
SMILESCOCC(N)Cc1c[nH]c2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C12H16N2O.C2HF3O2/c1-15-8-10(13)6-9-7-14-12-5-3-2-4-11(9)12;3-2(4,5)1(6)7/h2-5,7,10,14H,6,8,13H2,1H3;(H,6,7)
InChIKeyHTBWDBASRLXTBB-UHFFFAOYSA-N
XLogP2.32
TPSA88.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
1-methoxypropan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate
CID 114351164
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
CID 70188356
CID 70188356
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535
[(2S)-2-amino-3-(1H-indol-3-yl)propyl] hydrogen sulfate
CID 162426255
(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid;2,2,2-trifluoroacetic acid
CID 169449556
3-methoxypropyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 104911563
4-amino-5-(1H-indol-3-yl)pentanoic acid
CID 53414125

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-3-methoxypropan-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(1H-indol-3-yl)-3-methoxypropan-2-amine;2,2,2-trifluoroacetic acid (CID 139431923) is 1-(1H-indol-3-yl)-3-methoxypropan-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(1H-indol-3-yl)-3-methoxypropan-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(1H-indol-3-yl)-3-methoxypropan-2-amine;2,2,2-trifluoroacetic acid is COCC(N)Cc1c[nH]c2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(1H-indol-3-yl)-3-methoxypropan-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is HTBWDBASRLXTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.C2HF3O2/c1-15-8-10(13)6-9-7-14-12-5-3-2-4-11(9)12;3-2(4,5)1(6)7/h2-5,7,10,14H,6,8,13H2,1H3;(H,6,7).
What are the key properties of 1-(1H-indol-3-yl)-3-methoxypropan-2-amine;2,2,2-trifluoroacetic acid?
1-(1H-indol-3-yl)-3-methoxypropan-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 318.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-3-methoxypropan-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 139431923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).