N-methyl-1-[(2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]methanimine

C19H25F3N2 — CID 134458832

IUPACN-methyl-1-[(2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]methanimine
SMILESC/N=C/C1CC[C@H](c2cccc(C(F)(F)F)c2)C[C@@H]1N1CCCC1
InChIInChI=1S/C19H25F3N2/c1-23-13-16-8-7-15(12-18(16)24-9-2-3-10-24)14-5-4-6-17(11-14)19(20,21)22/h4-6,11,13,15-16,18H,2-3,7-10,12H2,1H3/b23-13+/t15-,16?,18-/m0/s1
InChIKeySARGONVFBJBXNR-KSRMHGPCSA-N
MW338.42 g/mol
LogP4.75
Rot. Bonds3

About N-methyl-1-[(2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]methanimine

N-methyl-1-[(2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]methanimine (PubChem CID 134458832) has the molecular formula C19H25F3N2 and a molecular weight of 338.42 g/mol. Its IUPAC name is N-methyl-1-[(2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[(2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]methanimine
PubChem CID134458832
Molecular FormulaC19H25F3N2
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN-methyl-1-[(2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]methanimine
SMILESC/N=C/C1CC[C@H](c2cccc(C(F)(F)F)c2)C[C@@H]1N1CCCC1
InChIInChI=1S/C19H25F3N2/c1-23-13-16-8-7-15(12-18(16)24-9-2-3-10-24)14-5-4-6-17(11-14)19(20,21)22/h4-6,11,13,15-16,18H,2-3,7-10,12H2,1H3/b23-13+/t15-,16?,18-/m0/s1
InChIKeySARGONVFBJBXNR-KSRMHGPCSA-N
XLogP4.75
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]methanimine?
The IUPAC name of N-methyl-1-[(2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]methanimine (CID 134458832) is N-methyl-1-[(2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]methanimine.
What is the SMILES notation for N-methyl-1-[(2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]methanimine?
The canonical SMILES for N-methyl-1-[(2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]methanimine is C/N=C/C1CC[C@H](c2cccc(C(F)(F)F)c2)C[C@@H]1N1CCCC1.
What is the InChIKey of N-methyl-1-[(2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]methanimine?
The InChIKey is SARGONVFBJBXNR-KSRMHGPCSA-N. The full InChI is InChI=1S/C19H25F3N2/c1-23-13-16-8-7-15(12-18(16)24-9-2-3-10-24)14-5-4-6-17(11-14)19(20,21)22/h4-6,11,13,15-16,18H,2-3,7-10,12H2,1H3/b23-13+/t15-,16?,18-/m0/s1.
What are the key properties of N-methyl-1-[(2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]methanimine?
N-methyl-1-[(2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]methanimine has a molecular weight of 338.42 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]methanimine is sourced from PubChem (CID 134458832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).