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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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).