N-methyl-1-[(2S)-2-[5-(trifluoromethyl)-1H-indol-3-yl]cyclopropyl]methanamine

C14H15F3N2 — CID 142174206

IUPACN-methyl-1-[(2S)-2-[5-(trifluoromethyl)-1H-indol-3-yl]cyclopropyl]methanamine
SMILESCNCC1C[C@@H]1c1c[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C14H15F3N2/c1-18-6-8-4-10(8)12-7-19-13-3-2-9(5-11(12)13)14(15,16)17/h2-3,5,7-8,10,18-19H,4,6H2,1H3/t8?,10-/m0/s1
InChIKeyDRTUCHUPWPGRTC-HTLJXXAVSA-N
MW268.28 g/mol
LogP3.51
Rot. Bonds3

About N-methyl-1-[(2S)-2-[5-(trifluoromethyl)-1H-indol-3-yl]cyclopropyl]methanamine

N-methyl-1-[(2S)-2-[5-(trifluoromethyl)-1H-indol-3-yl]cyclopropyl]methanamine (PubChem CID 142174206) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-methyl-1-[(2S)-2-[5-(trifluoromethyl)-1H-indol-3-yl]cyclopropyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(2S)-2-[5-(trifluoromethyl)-1H-indol-3-yl]cyclopropyl]methanamine
PubChem CID142174206
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC NameN-methyl-1-[(2S)-2-[5-(trifluoromethyl)-1H-indol-3-yl]cyclopropyl]methanamine
SMILESCNCC1C[C@@H]1c1c[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C14H15F3N2/c1-18-6-8-4-10(8)12-7-19-13-3-2-9(5-11(12)13)14(15,16)17/h2-3,5,7-8,10,18-19H,4,6H2,1H3/t8?,10-/m0/s1
InChIKeyDRTUCHUPWPGRTC-HTLJXXAVSA-N
XLogP3.51
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutan-1-amine
CID 22638713
N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 23519034
methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane
CID 157136728
2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol
CID 117195432
1-[2-(5-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 114860003
1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558271
N-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 117202732
1-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]-N,N-dimethylmethanamine
CID 23518962
2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 12030137
N-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
CID 105468357
1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558335
N-ethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine
CID 23519072

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2S)-2-[5-(trifluoromethyl)-1H-indol-3-yl]cyclopropyl]methanamine?
The IUPAC name of N-methyl-1-[(2S)-2-[5-(trifluoromethyl)-1H-indol-3-yl]cyclopropyl]methanamine (CID 142174206) is N-methyl-1-[(2S)-2-[5-(trifluoromethyl)-1H-indol-3-yl]cyclopropyl]methanamine.
What is the SMILES notation for N-methyl-1-[(2S)-2-[5-(trifluoromethyl)-1H-indol-3-yl]cyclopropyl]methanamine?
The canonical SMILES for N-methyl-1-[(2S)-2-[5-(trifluoromethyl)-1H-indol-3-yl]cyclopropyl]methanamine is CNCC1C[C@@H]1c1c[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of N-methyl-1-[(2S)-2-[5-(trifluoromethyl)-1H-indol-3-yl]cyclopropyl]methanamine?
The InChIKey is DRTUCHUPWPGRTC-HTLJXXAVSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-18-6-8-4-10(8)12-7-19-13-3-2-9(5-11(12)13)14(15,16)17/h2-3,5,7-8,10,18-19H,4,6H2,1H3/t8?,10-/m0/s1.
What are the key properties of N-methyl-1-[(2S)-2-[5-(trifluoromethyl)-1H-indol-3-yl]cyclopropyl]methanamine?
N-methyl-1-[(2S)-2-[5-(trifluoromethyl)-1H-indol-3-yl]cyclopropyl]methanamine has a molecular weight of 268.28 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2S)-2-[5-(trifluoromethyl)-1H-indol-3-yl]cyclopropyl]methanamine is sourced from PubChem (CID 142174206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).