(E)-N-[2-[1-(1-cyclohexylethyl)pyrrolidin-2-yl]ethyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine

C24H36F2N2 — CID 59131190

IUPAC(E)-N-[2-[1-(1-cyclohexylethyl)pyrrolidin-2-yl]ethyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine
SMILESC/C(=C\c1ccc(F)cc1F)CNCCC1CCCN1C(C)C1CCCCC1
InChIInChI=1S/C24H36F2N2/c1-18(15-21-10-11-22(25)16-24(21)26)17-27-13-12-23-9-6-14-28(23)19(2)20-7-4-3-5-8-20/h10-11,15-16,19-20,23,27H,3-9,12-14,17H2,1-2H3/b18-15+
InChIKeyDFKNWGICUPYZHH-OBGWFSINSA-N
MW390.56 g/mol
LogP5.78
Rot. Bonds8

About (E)-N-[2-[1-(1-cyclohexylethyl)pyrrolidin-2-yl]ethyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine

(E)-N-[2-[1-(1-cyclohexylethyl)pyrrolidin-2-yl]ethyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine (PubChem CID 59131190) has the molecular formula C24H36F2N2 and a molecular weight of 390.56 g/mol. Its IUPAC name is (E)-N-[2-[1-(1-cyclohexylethyl)pyrrolidin-2-yl]ethyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[2-[1-(1-cyclohexylethyl)pyrrolidin-2-yl]ethyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine
PubChem CID59131190
Molecular FormulaC24H36F2N2
Molecular Weight390.56 g/mol
Exact Mass390.28
IUPAC Name(E)-N-[2-[1-(1-cyclohexylethyl)pyrrolidin-2-yl]ethyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine
SMILESC/C(=C\c1ccc(F)cc1F)CNCCC1CCCN1C(C)C1CCCCC1
InChIInChI=1S/C24H36F2N2/c1-18(15-21-10-11-22(25)16-24(21)26)17-27-13-12-23-9-6-14-28(23)19(2)20-7-4-3-5-8-20/h10-11,15-16,19-20,23,27H,3-9,12-14,17H2,1-2H3/b18-15+
InChIKeyDFKNWGICUPYZHH-OBGWFSINSA-N
XLogP5.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(1-cyclohexylethyl)pyrrolidin-2-yl]methyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine
CID 68711401
N-[[(2S)-1-[(1S)-1-cyclohexylethyl]pyrrolidin-2-yl]methyl]-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3,4-dimethoxybenzamide
CID 142709375
tert-butyl 2-[2-[[3-(4-fluorophenyl)-2-methylprop-2-enyl]amino]ethyl]pyrrolidine-1-carboxylate
CID 72651225
2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-2-yl]-N-methylethanamine
CID 83124982
N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62415492
N-(2,4-difluorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 50946822
(2S)-N-(2,4-difluorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070350
N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 59052428
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 3931904
N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(difluoromethoxy)-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-4-methoxybenzamide
CID 10008014
(2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
CID 79549414
[2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 65100880

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[1-(1-cyclohexylethyl)pyrrolidin-2-yl]ethyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine?
The IUPAC name of (E)-N-[2-[1-(1-cyclohexylethyl)pyrrolidin-2-yl]ethyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine (CID 59131190) is (E)-N-[2-[1-(1-cyclohexylethyl)pyrrolidin-2-yl]ethyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-[2-[1-(1-cyclohexylethyl)pyrrolidin-2-yl]ethyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for (E)-N-[2-[1-(1-cyclohexylethyl)pyrrolidin-2-yl]ethyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine is C/C(=C\c1ccc(F)cc1F)CNCCC1CCCN1C(C)C1CCCCC1.
What is the InChIKey of (E)-N-[2-[1-(1-cyclohexylethyl)pyrrolidin-2-yl]ethyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine?
The InChIKey is DFKNWGICUPYZHH-OBGWFSINSA-N. The full InChI is InChI=1S/C24H36F2N2/c1-18(15-21-10-11-22(25)16-24(21)26)17-27-13-12-23-9-6-14-28(23)19(2)20-7-4-3-5-8-20/h10-11,15-16,19-20,23,27H,3-9,12-14,17H2,1-2H3/b18-15+.
What are the key properties of (E)-N-[2-[1-(1-cyclohexylethyl)pyrrolidin-2-yl]ethyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine?
(E)-N-[2-[1-(1-cyclohexylethyl)pyrrolidin-2-yl]ethyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine has a molecular weight of 390.56 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[1-(1-cyclohexylethyl)pyrrolidin-2-yl]ethyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 59131190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).