(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine

C20H21F3N2O — CID 175392250

IUPAC(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
SMILESC[C@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)NC(F)C(F)F
InChIInChI=1S/C20H21F3N2O/c1-13(25-20(23)19(21)22)9-15-11-24-18-8-7-16(10-17(15)18)26-12-14-5-3-2-4-6-14/h2-8,10-11,13,19-20,24-25H,9,12H2,1H3/t13-,20?/m1/s1
InChIKeyHZWMBSLTAZROFE-CRIUFTBBSA-N
MW362.40 g/mol
LogP4.83
Rot. Bonds8

About (2R)-1-(5-phenylmethoxy-1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine

(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine (PubChem CID 175392250) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is (2R)-1-(5-phenylmethoxy-1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
PubChem CID175392250
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
SMILESC[C@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)NC(F)C(F)F
InChIInChI=1S/C20H21F3N2O/c1-13(25-20(23)19(21)22)9-15-11-24-18-8-7-16(10-17(15)18)26-12-14-5-3-2-4-6-14/h2-8,10-11,13,19-20,24-25H,9,12H2,1H3/t13-,20?/m1/s1
InChIKeyHZWMBSLTAZROFE-CRIUFTBBSA-N
XLogP4.83
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 129363588
3-(2-nitropropyl)-5-phenylmethoxy-1H-indole
CID 14083171
(2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
CID 175501585
1-(3-phenylmethoxyphenyl)-N-(1,2,2-trifluoroethyl)propan-2-amine
CID 175392263
2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 2735234
N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole
CID 162433914
2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 15137731
3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole
CID 10935197
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935
methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946338

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-phenylmethoxy-1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of (2R)-1-(5-phenylmethoxy-1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine (CID 175392250) is (2R)-1-(5-phenylmethoxy-1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(5-phenylmethoxy-1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for (2R)-1-(5-phenylmethoxy-1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine is C[C@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)NC(F)C(F)F.
What is the InChIKey of (2R)-1-(5-phenylmethoxy-1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is HZWMBSLTAZROFE-CRIUFTBBSA-N. The full InChI is InChI=1S/C20H21F3N2O/c1-13(25-20(23)19(21)22)9-15-11-24-18-8-7-16(10-17(15)18)26-12-14-5-3-2-4-6-14/h2-8,10-11,13,19-20,24-25H,9,12H2,1H3/t13-,20?/m1/s1.
What are the key properties of (2R)-1-(5-phenylmethoxy-1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine?
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 362.40 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-phenylmethoxy-1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 175392250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).