1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine

C12H13F3N2O — CID 135044105

IUPAC1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine
SMILESCOc1ccc2[nH]cc(CC(N)C(F)(F)F)c2c1
InChIInChI=1S/C12H13F3N2O/c1-18-8-2-3-10-9(5-8)7(6-17-10)4-11(16)12(13,14)15/h2-3,5-6,11,17H,4,16H2,1H3
InChIKeyHLTWXBJQJPGODS-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.61
Rot. Bonds3

About 1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine

1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine (PubChem CID 135044105) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine
PubChem CID135044105
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine
SMILESCOc1ccc2[nH]cc(CC(N)C(F)(F)F)c2c1
InChIInChI=1S/C12H13F3N2O/c1-18-8-2-3-10-9(5-8)7(6-17-10)4-11(16)12(13,14)15/h2-3,5-6,11,17H,4,16H2,1H3
InChIKeyHLTWXBJQJPGODS-UHFFFAOYSA-N
XLogP2.61
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 175665456
5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole
CID 102104245
ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine
CID 143255366
1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 2965218
(S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239459
2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine
CID 172624963
methyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate
CID 59079811
2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride
CID 73424996
tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate
CID 139446493
N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine
CID 124907942
2-amino-3-(1H-indol-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 70147213
4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline
CID 20509727

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine (CID 135044105) is 1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine is COc1ccc2[nH]cc(CC(N)C(F)(F)F)c2c1.
What is the InChIKey of 1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine?
The InChIKey is HLTWXBJQJPGODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-18-8-2-3-10-9(5-8)7(6-17-10)4-11(16)12(13,14)15/h2-3,5-6,11,17H,4,16H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine?
1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine has a molecular weight of 258.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 135044105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).