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

C23H34F2N2 — CID 68711401

IUPACN-[[1-(1-cyclohexylethyl)pyrrolidin-2-yl]methyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine
SMILESCC(=Cc1ccc(F)cc1F)CNCC1CCCN1C(C)C1CCCCC1
InChIInChI=1S/C23H34F2N2/c1-17(13-20-10-11-21(24)14-23(20)25)15-26-16-22-9-6-12-27(22)18(2)19-7-4-3-5-8-19/h10-11,13-14,18-19,22,26H,3-9,12,15-16H2,1-2H3
InChIKeyCLUUAGMJRIEZSN-UHFFFAOYSA-N
MW376.54 g/mol
LogP5.39
Rot. Bonds7

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

N-[[1-(1-cyclohexylethyl)pyrrolidin-2-yl]methyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine (PubChem CID 68711401) has the molecular formula C23H34F2N2 and a molecular weight of 376.54 g/mol. Its IUPAC name is N-[[1-(1-cyclohexylethyl)pyrrolidin-2-yl]methyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[1-(1-cyclohexylethyl)pyrrolidin-2-yl]methyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine
PubChem CID68711401
Molecular FormulaC23H34F2N2
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC NameN-[[1-(1-cyclohexylethyl)pyrrolidin-2-yl]methyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine
SMILESCC(=Cc1ccc(F)cc1F)CNCC1CCCN1C(C)C1CCCCC1
InChIInChI=1S/C23H34F2N2/c1-17(13-20-10-11-21(24)14-23(20)25)15-26-16-22-9-6-12-27(22)18(2)19-7-4-3-5-8-19/h10-11,13-14,18-19,22,26H,3-9,12,15-16H2,1-2H3
InChIKeyCLUUAGMJRIEZSN-UHFFFAOYSA-N
XLogP5.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-[2-[1-(1-cyclohexylethyl)pyrrolidin-2-yl]ethyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine
CID 59131190
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
2-[1-[(2,4-difluorophenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62227398
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 3931904
N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 114138263
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
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 62582020
1-(2,4-difluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 62888795
N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427674
N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 59052428
N-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxybenzamide
CID 59131210

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-cyclohexylethyl)pyrrolidin-2-yl]methyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine?
The IUPAC name of N-[[1-(1-cyclohexylethyl)pyrrolidin-2-yl]methyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine (CID 68711401) is N-[[1-(1-cyclohexylethyl)pyrrolidin-2-yl]methyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[[1-(1-cyclohexylethyl)pyrrolidin-2-yl]methyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[[1-(1-cyclohexylethyl)pyrrolidin-2-yl]methyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine is CC(=Cc1ccc(F)cc1F)CNCC1CCCN1C(C)C1CCCCC1.
What is the InChIKey of N-[[1-(1-cyclohexylethyl)pyrrolidin-2-yl]methyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine?
The InChIKey is CLUUAGMJRIEZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F2N2/c1-17(13-20-10-11-21(24)14-23(20)25)15-26-16-22-9-6-12-27(22)18(2)19-7-4-3-5-8-19/h10-11,13-14,18-19,22,26H,3-9,12,15-16H2,1-2H3.
What are the key properties of N-[[1-(1-cyclohexylethyl)pyrrolidin-2-yl]methyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine?
N-[[1-(1-cyclohexylethyl)pyrrolidin-2-yl]methyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine has a molecular weight of 376.54 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-cyclohexylethyl)pyrrolidin-2-yl]methyl]-3-(2,4-difluorophenyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 68711401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).